5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C13H18N4O2 — CID 130386740

IUPAC5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)on2)C1
InChIInChI=1S/C13H18N4O2/c1-8(2)17-6-9(3)12(7-17)15-13(18)11-4-10(5-14)19-16-11/h4,8-9,12H,6-7H2,1-3H3,(H,15,18)/t9-,12+/m1/s1
InChIKeyAIUFNOGIYITJKA-SKDRFNHKSA-N
MW262.31 g/mol
LogP1.00
Rot. Bonds3

About 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386740) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386740
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)on2)C1
InChIInChI=1S/C13H18N4O2/c1-8(2)17-6-9(3)12(7-17)15-13(18)11-4-10(5-14)19-16-11/h4,8-9,12H,6-7H2,1-3H3,(H,15,18)/t9-,12+/m1/s1
InChIKeyAIUFNOGIYITJKA-SKDRFNHKSA-N
XLogP1.00
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395401
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630
2-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 130375891
2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 130365414
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
CID 130375933
5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 159011022
1-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)triazole-4-carboxamide
CID 130365391
6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridazine-3-carboxamide
CID 130365347
5-cyclobutyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridazine-3-carboxamide
CID 130365382
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
CID 146364145
5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 157394551
tert-butyl (5R)-3-[(5-cyano-1,2-oxazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 177148470

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386740) is 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)on2)C1.
What is the InChIKey of 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AIUFNOGIYITJKA-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)17-6-9(3)12(7-17)15-13(18)11-4-10(5-14)19-16-11/h4,8-9,12H,6-7H2,1-3H3,(H,15,18)/t9-,12+/m1/s1.
What are the key properties of 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).