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

C14H8ClN3O2 — CID 2333837

IUPAC(2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccncc2)o1)c1ccccc1Cl
InChIInChI=1S/C14H8ClN3O2/c15-11-4-2-1-3-10(11)12(19)14-18-17-13(20-14)9-5-7-16-8-6-9/h1-8H
InChIKeyBIEGNNIKGRAQBF-UHFFFAOYSA-N
MW285.69 g/mol
LogP3.02
Rot. Bonds3

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

(2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 2333837) has the molecular formula C14H8ClN3O2 and a molecular weight of 285.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID2333837
Molecular FormulaC14H8ClN3O2
Molecular Weight285.69 g/mol
Exact Mass285.03
IUPAC Name(2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccncc2)o1)c1ccccc1Cl
InChIInChI=1S/C14H8ClN3O2/c15-11-4-2-1-3-10(11)12(19)14-18-17-13(20-14)9-5-7-16-8-6-9/h1-8H
InChIKeyBIEGNNIKGRAQBF-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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Related Compounds

7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
2-((2-Chlorobenzyl)thio)-5-(pyridin-4-yl)-1,3,4-oxadiazole
CID 851256
7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
6-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11587811
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740478
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-chloropyridine-3-carboxylate
CID 2105651

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (CID 2333837) is (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2ccncc2)o1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is BIEGNNIKGRAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O2/c15-11-4-2-1-3-10(11)12(19)14-18-17-13(20-14)9-5-7-16-8-6-9/h1-8H.
What are the key properties of (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
(2-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 (2-chlorophenyl)-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 2333837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).