5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C17H15N3O3 — CID 3236273

IUPAC5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C17H15N3O3/c1-22-14-6-4-13(5-7-14)16-9-15(20-23-16)17(21)19-11-12-3-2-8-18-10-12/h2-10H,11H2,1H3,(H,19,21)
InChIKeyUXHPJTUAFYTVJZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.68
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3236273) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID3236273
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C17H15N3O3/c1-22-14-6-4-13(5-7-14)16-9-15(20-23-16)17(21)19-11-12-3-2-8-18-10-12/h2-10H,11H2,1H3,(H,19,21)
InChIKeyUXHPJTUAFYTVJZ-UHFFFAOYSA-N
XLogP2.68
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 3236273) is 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UXHPJTUAFYTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-14-6-4-13(5-7-14)16-9-15(20-23-16)17(21)19-11-12-3-2-8-18-10-12/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).