5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole

C17H13ClN2O — CID 19324469

IUPAC5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(C2CC2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H13ClN2O/c18-13-8-6-11(7-9-13)14-10-15(14)17-19-16(20-21-17)12-4-2-1-3-5-12/h1-9,14-15H,10H2
InChIKeyKEQVENJZVHALBK-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.66
Rot. Bonds3

About 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324469) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324469
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(C2CC2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H13ClN2O/c18-13-8-6-11(7-9-13)14-10-15(14)17-19-16(20-21-17)12-4-2-1-3-5-12/h1-9,14-15H,10H2
InChIKeyKEQVENJZVHALBK-UHFFFAOYSA-N
XLogP4.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
CID 151827727
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 42760540
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130466695
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347506
5-[(1R,2R,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 10237370
2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide
CID 152716425
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-[3-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
CID 167931430
3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole (CID 19324469) is 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole is Clc1ccc(C2CC2c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is KEQVENJZVHALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-13-8-6-11(7-9-13)14-10-15(14)17-19-16(20-21-17)12-4-2-1-3-5-12/h1-9,14-15H,10H2.
What are the key properties of 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 296.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).