N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

C20H21N3O3 — CID 51498087

IUPACN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1C[C@H](C)NC(=O)c1c(-c2ccncc2)noc1C
InChIInChI=1S/C20H21N3O3/c1-13(12-16-6-4-5-7-17(16)25-3)22-20(24)18-14(2)26-23-19(18)15-8-10-21-11-9-15/h4-11,13H,12H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyMLHBXSLRDUNEOZ-ZDUSSCGKSA-N
MW351.41 g/mol
LogP3.41
Rot. Bonds6

About N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 51498087) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID51498087
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1C[C@H](C)NC(=O)c1c(-c2ccncc2)noc1C
InChIInChI=1S/C20H21N3O3/c1-13(12-16-6-4-5-7-17(16)25-3)22-20(24)18-14(2)26-23-19(18)15-8-10-21-11-9-15/h4-11,13H,12H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyMLHBXSLRDUNEOZ-ZDUSSCGKSA-N
XLogP3.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 16676131
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51495923
5-hydroxy-N-[1-(2-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 63859035
5-methyl-N-[phenyl(pyridin-3-yl)methyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 46963251
N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
CID 51498143

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 51498087) is N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is COc1ccccc1C[C@H](C)NC(=O)c1c(-c2ccncc2)noc1C.
What is the InChIKey of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is MLHBXSLRDUNEOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(12-16-6-4-5-7-17(16)25-3)22-20(24)18-14(2)26-23-19(18)15-8-10-21-11-9-15/h4-11,13H,12H2,1-3H3,(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).