1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

C18H21N3O2 — CID 91916927

IUPAC1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3ccccc3)n2)CN1C1CCCCC1
InChIInChI=1S/C18H21N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)17-19-18(23-20-17)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2
InChIKeyWPMYKBRJYBEIJP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.39
Rot. Bonds3

About 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one

1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (PubChem CID 91916927) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
PubChem CID91916927
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2noc(-c3ccccc3)n2)CN1C1CCCCC1
InChIInChI=1S/C18H21N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)17-19-18(23-20-17)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2
InChIKeyWPMYKBRJYBEIJP-UHFFFAOYSA-N
XLogP3.39
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one (CID 91916927) is 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is O=C1CC(c2noc(-c3ccccc3)n2)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
The InChIKey is WPMYKBRJYBEIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-16-11-14(12-21(16)15-9-5-2-6-10-15)17-19-18(23-20-17)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2.
What are the key properties of 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one?
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 91916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).