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

C11H9ClN2O — CID 69090839

IUPAC2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole
SMILESClc1cccc(C2(c3nnco3)CC2)c1
InChIInChI=1S/C11H9ClN2O/c12-9-3-1-2-8(6-9)11(4-5-11)10-14-13-7-15-10/h1-3,6-7H,4-5H2
InChIKeyDIISKSLIZCTJIX-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.80
Rot. Bonds2

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

2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole (PubChem CID 69090839) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole
PubChem CID69090839
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole
SMILESClc1cccc(C2(c3nnco3)CC2)c1
InChIInChI=1S/C11H9ClN2O/c12-9-3-1-2-8(6-9)11(4-5-11)10-14-13-7-15-10/h1-3,6-7H,4-5H2
InChIKeyDIISKSLIZCTJIX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole (CID 69090839) is 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole is Clc1cccc(C2(c3nnco3)CC2)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole?
The InChIKey is DIISKSLIZCTJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-9-3-1-2-8(6-9)11(4-5-11)10-14-13-7-15-10/h1-3,6-7H,4-5H2.
What are the key properties of 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole?
2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole has a molecular weight of 220.66 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)cyclopropyl]-1,3,4-oxadiazole is sourced from PubChem (CID 69090839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).