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

C19H25N3O2 — CID 124861348

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)no1
InChIInChI=1S/C19H25N3O2/c1-14(2)18-11-17(20-24-18)19(23)21(3)16-9-10-22(13-16)12-15-7-5-4-6-8-15/h4-8,11,14,16H,9-10,12-13H2,1-3H3/t16-/m0/s1
InChIKeyHKJSQKDZVKPFOD-INIZCTEOSA-N
MW327.43 g/mol
LogP3.14
Rot. Bonds5

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

N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 124861348) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID124861348
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)no1
InChIInChI=1S/C19H25N3O2/c1-14(2)18-11-17(20-24-18)19(23)21(3)16-9-10-22(13-16)12-15-7-5-4-6-8-15/h4-8,11,14,16H,9-10,12-13H2,1-3H3/t16-/m0/s1
InChIKeyHKJSQKDZVKPFOD-INIZCTEOSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-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

N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981
N-(1-benzylpyrrolidin-3-yl)-N,2-dimethyl-1,3-benzoxazole-4-carboxamide
CID 136538580
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
2-amino-N-[(3S)-1-benzylpyrrolidin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 121226093
4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 136528969
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 124861348) is N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)no1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HKJSQKDZVKPFOD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)18-11-17(20-24-18)19(23)21(3)16-9-10-22(13-16)12-15-7-5-4-6-8-15/h4-8,11,14,16H,9-10,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124861348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).