1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C21H25N3O3 — CID 124969994

IUPAC1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C21H25N3O3/c25-19-10-6-11-23(19)15-20(26)24-12-5-4-9-18(24)21-22-14-17(27-21)13-16-7-2-1-3-8-16/h1-3,7-8,14,18H,4-6,9-13,15H2/t18-/m1/s1
InChIKeyJMQMSGSJWPPKQK-GOSISDBHSA-N
MW367.45 g/mol
LogP2.94
Rot. Bonds5

About 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 124969994) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID124969994
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C21H25N3O3/c25-19-10-6-11-23(19)15-20(26)24-12-5-4-9-18(24)21-22-14-17(27-21)13-16-7-2-1-3-8-16/h1-3,7-8,14,18H,4-6,9-13,15H2/t18-/m1/s1
InChIKeyJMQMSGSJWPPKQK-GOSISDBHSA-N
XLogP2.94
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124971867
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
2-[2-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110120619
1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124959482
1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 124951119
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 124998094
[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
1-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110120718
1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124941699
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124972691
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 124954942

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 124969994) is 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is JMQMSGSJWPPKQK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19-10-6-11-23(19)15-20(26)24-12-5-4-9-18(24)21-22-14-17(27-21)13-16-7-2-1-3-8-16/h1-3,7-8,14,18H,4-6,9-13,15H2/t18-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 124969994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).