5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C15H15ClN2O2 — CID 97077853

IUPAC5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CC2)cc1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)15(6-7-15)14-17-13(18-20-14)10-5-8-19-9-10/h1-4,10H,5-9H2/t10-/m1/s1
InChIKeyLYLPXRNYZXJNQV-SNVBAGLBSA-N
MW290.75 g/mol
LogP3.31
Rot. Bonds3

About 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97077853) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97077853
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CC2)cc1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)15(6-7-15)14-17-13(18-20-14)10-5-8-19-9-10/h1-4,10H,5-9H2/t10-/m1/s1
InChIKeyLYLPXRNYZXJNQV-SNVBAGLBSA-N
XLogP3.31
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-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

3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72912928
5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077225
5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
CID 56804175
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438471
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
4-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]aniline
CID 103985746
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862203
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97077853) is 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is Clc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CC2)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is LYLPXRNYZXJNQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)15(6-7-15)14-17-13(18-20-14)10-5-8-19-9-10/h1-4,10H,5-9H2/t10-/m1/s1.
What are the key properties of 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 290.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97077853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).