5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C16H13N3O2 — CID 973868

IUPAC5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H13N3O2/c20-16(18-11-12-5-4-8-17-10-12)14-9-15(21-19-14)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,20)
InChIKeyROFSVDRDYZAHNK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds4

About 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 973868) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID973868
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H13N3O2/c20-16(18-11-12-5-4-8-17-10-12)14-9-15(21-19-14)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,20)
InChIKeyROFSVDRDYZAHNK-UHFFFAOYSA-N
XLogP2.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
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CID 141678041
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
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5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
2-[5-[(5-Methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
CID 135567038
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
5-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665015
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665126

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 973868) is 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccnc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ROFSVDRDYZAHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(18-11-12-5-4-8-17-10-12)14-9-15(21-19-14)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,20).
What are the key properties of 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 973868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).