N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide

C21H23N3O2 — CID 42472241

IUPACN-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide
SMILESC[C@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16(17-8-4-3-5-9-17)14-19-15-20(26-23-19)21(25)24(2)13-11-18-10-6-7-12-22-18/h3-10,12,15-16H,11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyFGQJRJTXUZYMAS-MRXNPFEDSA-N
MW349.43 g/mol
LogP3.73
Rot. Bonds7

About N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide

N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 42472241) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID42472241
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide
SMILESC[C@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16(17-8-4-3-5-9-17)14-19-15-20(26-23-19)21(25)24(2)13-11-18-10-6-7-12-22-18/h3-10,12,15-16H,11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyFGQJRJTXUZYMAS-MRXNPFEDSA-N
XLogP3.73
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-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

2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 71973637
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(2S)-2-phenylpropyl]-1,2-oxazol-5-yl]methanone
CID 42418575
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide (CID 42472241) is N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide is C[C@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1.
What is the InChIKey of N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FGQJRJTXUZYMAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(17-8-4-3-5-9-17)14-19-15-20(26-23-19)21(25)24(2)13-11-18-10-6-7-12-22-18/h3-10,12,15-16H,11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide?
N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-2-phenylpropyl]-N-(2-pyridin-2-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42472241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).