(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide

C20H27N3O3 — CID 95200379

IUPAC(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1
InChIInChI=1S/C20H27N3O3/c1-12-9-18(25-5)13(2)8-16(12)20-22-17(14(3)26-20)11-23-7-6-15(10-23)19(24)21-4/h8-9,15H,6-7,10-11H2,1-5H3,(H,21,24)/t15-/m1/s1
InChIKeyDSMZRSKNUOFFQF-OAHLLOKOSA-N
MW357.45 g/mol
LogP2.84
Rot. Bonds5

About (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide

(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 95200379) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID95200379
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1
InChIInChI=1S/C20H27N3O3/c1-12-9-18(25-5)13(2)8-16(12)20-22-17(14(3)26-20)11-23-7-6-15(10-23)19(24)21-4/h8-9,15H,6-7,10-11H2,1-5H3,(H,21,24)/t15-/m1/s1
InChIKeyDSMZRSKNUOFFQF-OAHLLOKOSA-N
XLogP2.84
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-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

Related Compounds

(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
CID 42199005
N-[3-(azepan-1-yl)propyl]-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 45280539
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 70760923
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45228461
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide (CID 95200379) is (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1.
What is the InChIKey of (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is DSMZRSKNUOFFQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-9-18(25-5)13(2)8-16(12)20-22-17(14(3)26-20)11-23-7-6-15(10-23)19(24)21-4/h8-9,15H,6-7,10-11H2,1-5H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95200379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).