5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole

C18H21ClN2O2 — CID 56804175

IUPAC5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
SMILESClc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1
InChIInChI=1S/C18H21ClN2O2/c19-15-7-3-6-14(12-15)18(8-10-22-11-9-18)17-20-16(21-23-17)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyHYKIKELNQISWSW-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.48
Rot. Bonds3

About 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole

5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole (PubChem CID 56804175) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
PubChem CID56804175
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
SMILESClc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1
InChIInChI=1S/C18H21ClN2O2/c19-15-7-3-6-14(12-15)18(8-10-22-11-9-18)17-20-16(21-23-17)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyHYKIKELNQISWSW-UHFFFAOYSA-N
XLogP4.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077225
5-[4-(3-chlorophenyl)oxan-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56804159
5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077853
3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
5-[1-(3-chlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956834
3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 154783131
5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole
CID 100692589
3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863997
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 65390894
3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 75475174
3-cyclopropyl-5-[1-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazole
CID 71924882

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole (CID 56804175) is 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole is Clc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1.
What is the InChIKey of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole?
The InChIKey is HYKIKELNQISWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-15-7-3-6-14(12-15)18(8-10-22-11-9-18)17-20-16(21-23-17)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2.
What are the key properties of 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole?
5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole has a molecular weight of 332.83 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole is sourced from PubChem (CID 56804175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).