4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

C18H17N3O3 — CID 72904242

IUPAC4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)CN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H17N3O3/c22-17-10-14(9-13-5-2-1-3-6-13)11-21(17)12-16-19-20-18(24-16)15-7-4-8-23-15/h1-8,14H,9-12H2
InChIKeyDDEJTQUHUMWMTB-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.92
Rot. Bonds5

About 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 72904242) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
PubChem CID72904242
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)CN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H17N3O3/c22-17-10-14(9-13-5-2-1-3-6-13)11-21(17)12-16-19-20-18(24-16)15-7-4-8-23-15/h1-8,14H,9-12H2
InChIKeyDDEJTQUHUMWMTB-UHFFFAOYSA-N
XLogP2.92
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
4-benzyl-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 72930046
(4R)-4-benzyl-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrrolidin-2-one
CID 97275982
trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine
CID 99796112
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
furan-2-yl-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 26495653
(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
CID 95182210
[1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674598
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72861028
4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 72858582
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (CID 72904242) is 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is O=C1CC(Cc2ccccc2)CN1Cc1nnc(-c2ccco2)o1.
What is the InChIKey of 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is DDEJTQUHUMWMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17-10-14(9-13-5-2-1-3-6-13)11-21(17)12-16-19-20-18(24-16)15-7-4-8-23-15/h1-8,14H,9-12H2.
What are the key properties of 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 323.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 72904242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).