(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide

C18H27N3O3 — CID 92632323

IUPAC(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3/c1-4-14-15(12(2)24-20-14)16(22)21-11-7-10-18(21,3)17(23)19-13-8-5-6-9-13/h13H,4-11H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyBNLBFGAFKNDLGV-SFHVURJKSA-N
MW333.43 g/mol
LogP2.60
Rot. Bonds4

About (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide

(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 92632323) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID92632323
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3/c1-4-14-15(12(2)24-20-14)16(22)21-11-7-10-18(21,3)17(23)19-13-8-5-6-9-13/h13H,4-11H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyBNLBFGAFKNDLGV-SFHVURJKSA-N
XLogP2.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249134
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
(2R)-N-cyclopentyl-2-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 95851894
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75513671
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
CID 92632529
(2R)-N-cyclopentyl-2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 92632344
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110156467

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide (CID 92632323) is (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide is CCc1noc(C)c1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is BNLBFGAFKNDLGV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-14-15(12(2)24-20-14)16(22)21-11-7-10-18(21,3)17(23)19-13-8-5-6-9-13/h13H,4-11H2,1-3H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92632323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).