5-chloro-3-phenyl-1,2,4-oxadiazole

C8H5ClN2O — CID 12728443

IUPAC5-chloro-3-phenyl-1,2,4-oxadiazole
SMILESClc1nc(-c2ccccc2)no1
InChIInChI=1S/C8H5ClN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyMOJYPXFSJLVCRN-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.39
Rot. Bonds1

About 5-chloro-3-phenyl-1,2,4-oxadiazole

5-chloro-3-phenyl-1,2,4-oxadiazole (PubChem CID 12728443) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-phenyl-1,2,4-oxadiazole
PubChem CID12728443
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name5-chloro-3-phenyl-1,2,4-oxadiazole
SMILESClc1nc(-c2ccccc2)no1
InChIInChI=1S/C8H5ClN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChIKeyMOJYPXFSJLVCRN-UHFFFAOYSA-N
XLogP2.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-phenyl-1,2,4-oxadiazole (CID 12728443) is 5-chloro-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-phenyl-1,2,4-oxadiazole is Clc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-chloro-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MOJYPXFSJLVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-chloro-3-phenyl-1,2,4-oxadiazole?
5-chloro-3-phenyl-1,2,4-oxadiazole has a molecular weight of 180.59 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 12728443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).