N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C19H23N3O2 — CID 130395242

IUPACN-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H23N3O2/c1-13-10-22(11-14-5-3-2-4-6-14)12-17(13)20-19(23)16-9-18(24-21-16)15-7-8-15/h2-6,9,13,15,17H,7-8,10-12H2,1H3,(H,20,23)/t13-,17-/m1/s1
InChIKeyNDAAIVKPXBCSMU-CXAGYDPISA-N
MW325.41 g/mol
LogP2.80
Rot. Bonds5

About N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130395242) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130395242
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H23N3O2/c1-13-10-22(11-14-5-3-2-4-6-14)12-17(13)20-19(23)16-9-18(24-21-16)15-7-8-15/h2-6,9,13,15,17H,7-8,10-12H2,1H3,(H,20,23)/t13-,17-/m1/s1
InChIKeyNDAAIVKPXBCSMU-CXAGYDPISA-N
XLogP2.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-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

5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808746
5-cyclopropyl-N-[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386404
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 160897490
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395322
5-cyclopropyl-N-[1-[(4,5-dimethylfuran-2-yl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386650
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386667
5-cyclopropyl-N-[(3S,4S)-1-[(3,5-dibromo-4-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395312
5-cyclopropyl-N-[(3S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395310
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395332
5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395389
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386679

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130395242) is N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is NDAAIVKPXBCSMU-CXAGYDPISA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-10-22(11-14-5-3-2-4-6-14)12-17(13)20-19(23)16-9-18(24-21-16)15-7-8-15/h2-6,9,13,15,17H,7-8,10-12H2,1H3,(H,20,23)/t13-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).