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Structure

Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-

CAS
932854-69-8
Catalog Number
ACM932854698
Category
Other Products
Molecular Formula
C18H20F3N3O2

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Specification

Synonyms
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
What is the molecular formula of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]?

The molecular formula is C18H20F3N3O2.

When was this compound created and last modified?

It was created on November 13, 2007, and last modified on December 30, 2023.

What is the IUPAC name of this compound?

The IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

What is the Canonical SMILES of this compound?

The Canonical SMILES is CCC1=NOC(=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C.

What is the molecular weight of Methanone,(3-ethyl-5-methyl-4-isoxazolyl)[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]?

The molecular weight is 367.4 g/mol.

How many hydrogen bond donor counts does this compound have?

It has 0 hydrogen bond donor count.

What is the XLogP3-AA value of this compound?

The XLogP3-AA value is 3.5.

What is the topological polar surface area of this compound?

The topological polar surface area is 49.6 Å2.

How many hydrogen bond acceptor counts does this compound have?

It has 7 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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