2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

C15H11ClN2O2 — CID 687081

IUPAC2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C15H11ClN2O2/c1-19-13-4-2-3-11(9-13)15-18-17-14(20-15)10-5-7-12(16)8-6-10/h2-9H,1H3
InChIKeyWZROACNLXFNFTG-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 687081) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID687081
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C15H11ClN2O2/c1-19-13-4-2-3-11(9-13)15-18-17-14(20-15)10-5-7-12(16)8-6-10/h2-9H,1H3
InChIKeyWZROACNLXFNFTG-UHFFFAOYSA-N
XLogP4.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153514
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
2-(4-chlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652780
2-(2,4-dimethylpyrimidin-5-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99962847
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
4-chloro-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110652833
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (CID 687081) is 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is WZROACNLXFNFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-19-13-4-2-3-11(9-13)15-18-17-14(20-15)10-5-7-12(16)8-6-10/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 286.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 687081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).