(4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone

C14H8ClN3O2 — CID 2361010

IUPAC(4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H8ClN3O2/c15-11-3-1-9(2-4-11)12(19)14-18-17-13(20-14)10-5-7-16-8-6-10/h1-8H
InChIKeyBEHPDWUBHLTQQO-UHFFFAOYSA-N
MW285.69 g/mol
LogP3.02
Rot. Bonds3

About (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone

(4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 2361010) has the molecular formula C14H8ClN3O2 and a molecular weight of 285.69 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID2361010
Molecular FormulaC14H8ClN3O2
Molecular Weight285.69 g/mol
Exact Mass285.03
IUPAC Name(4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H8ClN3O2/c15-11-3-1-9(2-4-11)12(19)14-18-17-13(20-14)10-5-7-16-8-6-10/h1-8H
InChIKeyBEHPDWUBHLTQQO-UHFFFAOYSA-N
XLogP3.02
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (CID 2361010) is (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1ccc(Cl)cc1)c1nnc(-c2ccncc2)o1.
What is the InChIKey of (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is BEHPDWUBHLTQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O2/c15-11-3-1-9(2-4-11)12(19)14-18-17-13(20-14)10-5-7-16-8-6-10/h1-8H.
What are the key properties of (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
(4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 285.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 2361010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).