[5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

C17H17N3O3 — CID 53007236

IUPAC[5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2oc(-c3nnc(C(=O)N4CCCC4)o3)c(C)c2c1
InChIInChI=1S/C17H17N3O3/c1-10-5-6-13-12(9-10)11(2)14(22-13)15-18-19-16(23-15)17(21)20-7-3-4-8-20/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZNMFRUCDHBCHDH-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.34
Rot. Bonds2

About [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53007236) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID53007236
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name[5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2oc(-c3nnc(C(=O)N4CCCC4)o3)c(C)c2c1
InChIInChI=1S/C17H17N3O3/c1-10-5-6-13-12(9-10)11(2)14(22-13)15-18-19-16(23-15)17(21)20-7-3-4-8-20/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZNMFRUCDHBCHDH-UHFFFAOYSA-N
XLogP3.34
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
CID 53081315
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081250
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081245
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 53007246
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 167925736
5-(3,5-dimethyl-1-benzofuran-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 53081278
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110392413
tert-butyl 4-(3,5-dimethyl-1-benzofuran-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752677
N-[2-(azepan-1-yl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104966
(3,5-dimethyl-1-benzofuran-2-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 28784356
ethyl (3R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 42242316

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (CID 53007236) is [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccc2oc(-c3nnc(C(=O)N4CCCC4)o3)c(C)c2c1.
What is the InChIKey of [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZNMFRUCDHBCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-5-6-13-12(9-10)11(2)14(22-13)15-18-19-16(23-15)17(21)20-7-3-4-8-20/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53007236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).