5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole

C14H9Cl2N3O — CID 162730893

IUPAC5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
SMILESClc1ccc(Cc2nc(-c3ccc(Cl)nc3)no2)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-11-4-1-9(2-5-11)7-13-18-14(19-20-13)10-3-6-12(16)17-8-10/h1-6,8H,7H2
InChIKeyDZQKDAYNFGQYLI-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.03
Rot. Bonds3

About 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole

5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 162730893) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID162730893
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
SMILESClc1ccc(Cc2nc(-c3ccc(Cl)nc3)no2)cc1
InChIInChI=1S/C14H9Cl2N3O/c15-11-4-1-9(2-5-11)7-13-18-14(19-20-13)10-3-6-12(16)17-8-10/h1-6,8H,7H2
InChIKeyDZQKDAYNFGQYLI-UHFFFAOYSA-N
XLogP4.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666
5-[(4-chloro-3-nitrophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole
CID 162730926
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzene-1,2-diol
CID 122189976
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 63092250
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845084
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345469
N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
CID 122176663
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole (CID 162730893) is 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole is Clc1ccc(Cc2nc(-c3ccc(Cl)nc3)no2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is DZQKDAYNFGQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-11-4-1-9(2-5-11)7-13-18-14(19-20-13)10-3-6-12(16)17-8-10/h1-6,8H,7H2.
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole?
5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 306.15 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-3-(6-chloro-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 162730893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).