4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one

C19H22ClN3O2 — CID 91916905

IUPAC4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(c2noc(Cc3ccc(Cl)cc3)n2)CN1C1CCCCC1
InChIInChI=1S/C19H22ClN3O2/c20-15-8-6-13(7-9-15)10-17-21-19(22-25-17)14-11-18(24)23(12-14)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2
InChIKeyBJVPWGRGPZLINU-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.96
Rot. Bonds4

About 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one

4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one (PubChem CID 91916905) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
PubChem CID91916905
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
SMILESO=C1CC(c2noc(Cc3ccc(Cl)cc3)n2)CN1C1CCCCC1
InChIInChI=1S/C19H22ClN3O2/c20-15-8-6-13(7-9-15)10-17-21-19(22-25-17)14-11-18(24)23(12-14)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2
InChIKeyBJVPWGRGPZLINU-UHFFFAOYSA-N
XLogP3.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one (CID 91916905) is 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one is O=C1CC(c2noc(Cc3ccc(Cl)cc3)n2)CN1C1CCCCC1.
What is the InChIKey of 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
The InChIKey is BJVPWGRGPZLINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-8-6-13(7-9-15)10-17-21-19(22-25-17)14-11-18(24)23(12-14)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2.
What are the key properties of 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one?
4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one has a molecular weight of 359.86 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 91916905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).