N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide

C18H17N3O3 — CID 68983390

IUPACN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3ncccc3C)co2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-4-3-9-19-16(12)17(22)20-10-14-11-24-18(21-14)13-5-7-15(23-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyVXEJUUZYBAQUFR-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.98
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 68983390) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID68983390
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3ncccc3C)co2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-4-3-9-19-16(12)17(22)20-10-14-11-24-18(21-14)13-5-7-15(23-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyVXEJUUZYBAQUFR-UHFFFAOYSA-N
XLogP2.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-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 N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide (CID 68983390) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide is COc1ccc(-c2nc(CNC(=O)c3ncccc3C)co2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is VXEJUUZYBAQUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-4-3-9-19-16(12)17(22)20-10-14-11-24-18(21-14)13-5-7-15(23-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 68983390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).