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

C17H20N4O2 — CID 130395378

IUPAC5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H20N4O2/c1-11-9-21(16-4-2-3-7-18-16)10-14(11)19-17(22)13-8-15(23-20-13)12-5-6-12/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,19,22)/t11-,14-/m1/s1
InChIKeyNJMKWCYNJVSAKJ-BXUZGUMPSA-N
MW312.37 g/mol
LogP2.20
Rot. Bonds4

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

5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395378) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395378
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H20N4O2/c1-11-9-21(16-4-2-3-7-18-16)10-14(11)19-17(22)13-8-15(23-20-13)12-5-6-12/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,19,22)/t11-,14-/m1/s1
InChIKeyNJMKWCYNJVSAKJ-BXUZGUMPSA-N
XLogP2.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386259
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395404
N-[(3S,4R)-1-(3-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395362
N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395363
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
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-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386779
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(1-phenylpropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386614

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395378) is 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NJMKWCYNJVSAKJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-9-21(16-4-2-3-7-18-16)10-14(11)19-17(22)13-8-15(23-20-13)12-5-6-12/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,19,22)/t11-,14-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).