2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole

C14H10ClN3O — CID 43245591

IUPAC2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESClC(c1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C14H10ClN3O/c15-12(10-6-2-1-3-7-10)14-18-17-13(19-14)11-8-4-5-9-16-11/h1-9,12H
InChIKeyCBHGYPRBVATNIJ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.46
Rot. Bonds3

About 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 43245591) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID43245591
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESClC(c1ccccc1)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C14H10ClN3O/c15-12(10-6-2-1-3-7-10)14-18-17-13(19-14)11-8-4-5-9-16-11/h1-9,12H
InChIKeyCBHGYPRBVATNIJ-UHFFFAOYSA-N
XLogP3.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 82020898
2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 43245573
N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 55124400
2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole
CID 79802151
2-[(S)-chloro(phenyl)methyl]-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 93298279
2-benzyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 156786960
2-benzhydryl-5-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazole
CID 3576831
3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
CID 1467896
2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole
CID 59514881
2-prop-2-ynylsulfanyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 3420918
2-benzylsulfinyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 10401673
2-[chloro(phenyl)methyl]-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole
CID 66476275

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 43245591) is 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is ClC(c1ccccc1)c1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is CBHGYPRBVATNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12(10-6-2-1-3-7-10)14-18-17-13(19-14)11-8-4-5-9-16-11/h1-9,12H.
What are the key properties of 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 271.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 43245591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).