3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole

C11H9ClN2O — CID 112572113

IUPAC3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESClc1noc(C2CC2c2ccccc2)n1
InChIInChI=1S/C11H9ClN2O/c12-11-13-10(15-14-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyMBNUFMNHTFGAIV-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.99
Rot. Bonds2

About 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole

3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 112572113) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID112572113
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESClc1noc(C2CC2c2ccccc2)n1
InChIInChI=1S/C11H9ClN2O/c12-11-13-10(15-14-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyMBNUFMNHTFGAIV-UHFFFAOYSA-N
XLogP2.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
1-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096443
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine
CID 115539806
3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 166606249
5-[(2R)-2-phenylcyclopropyl]-3H-1,3,4-oxadiazol-2-one
CID 174254060
3-[[5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 166235865
3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole
CID 102943367
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977352

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole (CID 112572113) is 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole is Clc1noc(C2CC2c2ccccc2)n1.
What is the InChIKey of 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is MBNUFMNHTFGAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-11-13-10(15-14-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 220.66 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).