1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C21H27N3O2 — CID 124949631

IUPAC1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C21H27N3O2/c25-20(16-23-11-6-7-12-23)24-13-5-4-10-19(24)21-22-15-18(26-21)14-17-8-2-1-3-9-17/h1-3,8-9,15,19H,4-7,10-14,16H2/t19-/m0/s1
InChIKeyCVOCAOPIVUSTAN-IBGZPJMESA-N
MW353.47 g/mol
LogP3.41
Rot. Bonds5

About 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 124949631) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID124949631
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C21H27N3O2/c25-20(16-23-11-6-7-12-23)24-13-5-4-10-19(24)21-22-15-18(26-21)14-17-8-2-1-3-9-17/h1-3,8-9,15,19H,4-7,10-14,16H2/t19-/m0/s1
InChIKeyCVOCAOPIVUSTAN-IBGZPJMESA-N
XLogP3.41
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124969994
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
2-[2-[2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110120619
[(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
N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 129459888

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 124949631) is 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is CVOCAOPIVUSTAN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(16-23-11-6-7-12-23)24-13-5-4-10-19(24)21-22-15-18(26-21)14-17-8-2-1-3-9-17/h1-3,8-9,15,19H,4-7,10-14,16H2/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 353.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124949631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).