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

C14H10ClN3O — CID 53017502

IUPAC2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H10ClN3O/c15-12-5-3-10(4-6-12)8-13-17-18-14(19-13)11-2-1-7-16-9-11/h1-7,9H,8H2
InChIKeyAWFFECXZXZVDEW-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.38
Rot. Bonds3

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

2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 53017502) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID53017502
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H10ClN3O/c15-12-5-3-10(4-6-12)8-13-17-18-14(19-13)11-2-1-7-16-9-11/h1-7,9H,8H2
InChIKeyAWFFECXZXZVDEW-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-nitrophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 556141
2-[(4-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19585229
2-(4-chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 68718408
2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 141083060
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate
CID 174693018
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
2-(2,4-dichlorophenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318700
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 21031007
1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 53017502) is 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Clc1ccc(Cc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is AWFFECXZXZVDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-5-3-10(4-6-12)8-13-17-18-14(19-13)11-2-1-7-16-9-11/h1-7,9H,8H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 271.71 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).