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

C18H21N3O2 — CID 130386265

IUPAC5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCN1C[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H21N3O2/c1-21-10-14(12-5-3-2-4-6-12)16(11-21)19-18(22)15-9-17(23-20-15)13-7-8-13/h2-6,9,13-14,16H,7-8,10-11H2,1H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyXNWVJWWDPXSDGW-ZBFHGGJFSA-N
MW311.38 g/mol
LogP2.38
Rot. Bonds4

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

5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386265) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386265
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCN1C[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H21N3O2/c1-21-10-14(12-5-3-2-4-6-12)16(11-21)19-18(22)15-9-17(23-20-15)13-7-8-13/h2-6,9,13-14,16H,7-8,10-11H2,1H3,(H,19,22)/t14-,16+/m1/s1
InChIKeyXNWVJWWDPXSDGW-ZBFHGGJFSA-N
XLogP2.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739374
5-cyclopropyl-N-[(1R,2R)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739375
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 97249387
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395378
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(1-phenylpropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386614
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386779
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386265) is 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CN1C[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is XNWVJWWDPXSDGW-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-10-14(12-5-3-2-4-6-12)16(11-21)19-18(22)15-9-17(23-20-15)13-7-8-13/h2-6,9,13-14,16H,7-8,10-11H2,1H3,(H,19,22)/t14-,16+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).