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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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).