N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C17H12F3N3O3 — CID 22228481

IUPACN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c1-25-11-4-2-10(3-5-11)12-9-22-26-16(12)23-15(24)13-8-21-7-6-14(13)17(18,19)20/h2-9H,1H3,(H,23,24)
InChIKeyQUMSAMXNZYXGOS-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.02
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 22228481) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID22228481
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O3/c1-25-11-4-2-10(3-5-11)12-9-22-26-16(12)23-15(24)13-8-21-7-6-14(13)17(18,19)20/h2-9H,1H3,(H,23,24)
InChIKeyQUMSAMXNZYXGOS-UHFFFAOYSA-N
XLogP4.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 22228481) is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(-c2cnoc2NC(=O)c2cnccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QUMSAMXNZYXGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-25-11-4-2-10(3-5-11)12-9-22-26-16(12)23-15(24)13-8-21-7-6-14(13)17(18,19)20/h2-9H,1H3,(H,23,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 22228481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).