1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one

C16H23N3O3 — CID 70782658

IUPAC1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
SMILESCC(C)c1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)no1
InChIInChI=1S/C16H23N3O3/c1-11(2)14-9-13(17-22-14)16(21)18-7-8-19(15(20)10-18)12-5-3-4-6-12/h9,11-12H,3-8,10H2,1-2H3
InChIKeyMVEBHPPMJHDINS-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.03
Rot. Bonds3

About 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one

1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one (PubChem CID 70782658) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
PubChem CID70782658
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
SMILESCC(C)c1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)no1
InChIInChI=1S/C16H23N3O3/c1-11(2)14-9-13(17-22-14)16(21)18-7-8-19(15(20)10-18)12-5-3-4-6-12/h9,11-12H,3-8,10H2,1-2H3
InChIKeyMVEBHPPMJHDINS-UHFFFAOYSA-N
XLogP2.03
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 130281541
N-[(3R)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124738558
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124860723
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
1-cyclohexyl-4-(2-methoxypyrimidine-5-carbonyl)piperazin-2-one
CID 56739229
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124727523
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one (CID 70782658) is 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one is CC(C)c1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)no1.
What is the InChIKey of 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one?
The InChIKey is MVEBHPPMJHDINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)14-9-13(17-22-14)16(21)18-7-8-19(15(20)10-18)12-5-3-4-6-12/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one?
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one has a molecular weight of 305.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 70782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).