5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C20H14ClN3O2 — CID 6461856

IUPAC5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2ccccc2)c(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C20H14ClN3O2/c21-16-8-9-18(25-13-14-5-2-1-3-6-14)17(11-16)20-23-19(24-26-20)15-7-4-10-22-12-15/h1-12H,13H2
InChIKeyKJHORJLFNNYYSL-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.03
Rot. Bonds5

About 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 6461856) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID6461856
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2ccccc2)c(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C20H14ClN3O2/c21-16-8-9-18(25-13-14-5-2-1-3-6-14)17(11-16)20-23-19(24-26-20)15-7-4-10-22-12-15/h1-12H,13H2
InChIKeyKJHORJLFNNYYSL-UHFFFAOYSA-N
XLogP5.03
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
N-{4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1291756
4-{5-[(4-Chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 870479
2-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 912656
3-Benzyl-5-(5-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 89626549
2-Chloro-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1473390
5-(2-Methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 652471
4-[5-(5-Chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 975862
5-(4-Chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
CID 2744488
5-[3-[[1-[(3-Chlorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 171345501
5-[3-[[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 171354783
5-[3-[[1-[(2-Chlorophenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 171358752

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 6461856) is 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is Clc1ccc(OCc2ccccc2)c(-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is KJHORJLFNNYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-16-8-9-18(25-13-14-5-2-1-3-6-14)17(11-16)20-23-19(24-26-20)15-7-4-10-22-12-15/h1-12H,13H2.
What are the key properties of 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 363.80 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-phenylmethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 6461856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).