(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C19H25N3O2 — CID 94665811

IUPAC(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14-17(15(2)24-20-14)13-21(3)19(23)18-10-7-11-22(18)12-16-8-5-4-6-9-16/h4-6,8-9,18H,7,10-13H2,1-3H3/t18-/m0/s1
InChIKeyHLIVVDVARNFDDR-SFHVURJKSA-N
MW327.43 g/mol
LogP2.91
Rot. Bonds5

About (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 94665811) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID94665811
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14-17(15(2)24-20-14)13-21(3)19(23)18-10-7-11-22(18)12-16-8-5-4-6-9-16/h4-6,8-9,18H,7,10-13H2,1-3H3/t18-/m0/s1
InChIKeyHLIVVDVARNFDDR-SFHVURJKSA-N
XLogP2.91
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-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

Related Compounds

(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 125137031
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 94649268
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55621859
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 94665811) is (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide is Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HLIVVDVARNFDDR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-17(15(2)24-20-14)13-21(3)19(23)18-10-7-11-22(18)12-16-8-5-4-6-9-16/h4-6,8-9,18H,7,10-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94665811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).