(2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide

C17H24N4O4S — CID 67314041

IUPAC(2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide
SMILESCC(C)S(=O)(=O)c1cnn([C@@H](CC2CCCC2)C(=O)Nc2ccon2)c1
InChIInChI=1S/C17H24N4O4S/c1-12(2)26(23,24)14-10-18-21(11-14)15(9-13-5-3-4-6-13)17(22)19-16-7-8-25-20-16/h7-8,10-13,15H,3-6,9H2,1-2H3,(H,19,20,22)/t15-/m0/s1
InChIKeyHQWZHMSRKWZDQJ-HNNXBMFYSA-N
MW380.47 g/mol
LogP2.81
Rot. Bonds7

About (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide

(2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide (PubChem CID 67314041) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide
PubChem CID67314041
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name(2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide
SMILESCC(C)S(=O)(=O)c1cnn([C@@H](CC2CCCC2)C(=O)Nc2ccon2)c1
InChIInChI=1S/C17H24N4O4S/c1-12(2)26(23,24)14-10-18-21(11-14)15(9-13-5-3-4-6-13)17(22)19-16-7-8-25-20-16/h7-8,10-13,15H,3-6,9H2,1-2H3,(H,19,20,22)/t15-/m0/s1
InChIKeyHQWZHMSRKWZDQJ-HNNXBMFYSA-N
XLogP2.81
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(1-benzylpyrazol-3-yl)-3-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)propanamide
CID 67313972
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 67312887
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42769112
(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 58860827
N-(1,2-oxazol-3-yl)cyclopentanecarboxamide
CID 17218146
2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 142689138
3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 67314173
2-hydroxy-2-(1-methylpiperidin-4-yl)-N-(1,2-oxazol-3-yl)acetamide;hydrobromide
CID 173063810
(2S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[2-hydroxy-4-(propan-2-ylamino)pyrrol-1-yl]propanamide
CID 90871398
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42771670
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 42769101
2-[4-(4-chlorophenyl)sulfonylpyrazol-1-yl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-(oxan-4-yl)propanamide
CID 44513139

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide (CID 67314041) is (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide is CC(C)S(=O)(=O)c1cnn([C@@H](CC2CCCC2)C(=O)Nc2ccon2)c1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide?
The InChIKey is HQWZHMSRKWZDQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-12(2)26(23,24)14-10-18-21(11-14)15(9-13-5-3-4-6-13)17(22)19-16-7-8-25-20-16/h7-8,10-13,15H,3-6,9H2,1-2H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide?
(2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide has a molecular weight of 380.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanamide is sourced from PubChem (CID 67314041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).