2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C18H14F3N3O3 — CID 55737450

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C18H14F3N3O3/c1-10-13(24-17(27-10)11-5-3-2-4-6-11)8-15(25)23-14-7-12(18(19,20)21)9-22-16(14)26/h2-7,9H,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyPQHPXQDNCSJFHZ-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.54
Rot. Bonds4

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 55737450) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID55737450
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C18H14F3N3O3/c1-10-13(24-17(27-10)11-5-3-2-4-6-11)8-15(25)23-14-7-12(18(19,20)21)9-22-16(14)26/h2-7,9H,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyPQHPXQDNCSJFHZ-UHFFFAOYSA-N
XLogP3.54
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 55737450) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is PQHPXQDNCSJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-10-13(24-17(27-10)11-5-3-2-4-6-11)8-15(25)23-14-7-12(18(19,20)21)9-22-16(14)26/h2-7,9H,8H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 377.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 55737450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).