1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C22H27N3O3 — CID 91916911

IUPAC1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2(c3nc(C4CC(=O)N(C5CCCCC5)C4)no3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-27-18-9-7-16(8-10-18)22(11-12-22)21-23-20(24-28-21)15-13-19(26)25(14-15)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3
InChIKeyLKHJELFRTIBIKO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.81
Rot. Bonds5

About 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 91916911) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID91916911
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2(c3nc(C4CC(=O)N(C5CCCCC5)C4)no3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-27-18-9-7-16(8-10-18)22(11-12-22)21-23-20(24-28-21)15-13-19(26)25(14-15)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3
InChIKeyLKHJELFRTIBIKO-UHFFFAOYSA-N
XLogP3.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 91916911) is 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is COc1ccc(C2(c3nc(C4CC(=O)N(C5CCCCC5)C4)no3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is LKHJELFRTIBIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-18-9-7-16(8-10-18)22(11-12-22)21-23-20(24-28-21)15-13-19(26)25(14-15)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 91916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).