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

C12H11ClN2O — CID 19550396

IUPAC2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CC2c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H11ClN2O/c1-7-14-15-12(16-7)11-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11H,6H2,1H3
InChIKeyPJYHVILTFQQFPX-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.30
Rot. Bonds2

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

2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 19550396) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole
PubChem CID19550396
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2CC2c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H11ClN2O/c1-7-14-15-12(16-7)11-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11H,6H2,1H3
InChIKeyPJYHVILTFQQFPX-UHFFFAOYSA-N
XLogP3.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole (CID 19550396) is 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2CC2c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is PJYHVILTFQQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-7-14-15-12(16-7)11-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11H,6H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole?
2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 234.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19550396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).