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

C15H11ClN2O2 — CID 102175113

IUPAC3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C15H11ClN2O2/c1-19-13-7-5-10(6-8-13)15-17-14(18-20-15)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyMWEWRYJNYBWAGW-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.07
Rot. Bonds3

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

3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 102175113) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID102175113
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1
InChIInChI=1S/C15H11ClN2O2/c1-19-13-7-5-10(6-8-13)15-17-14(18-20-15)11-3-2-4-12(16)9-11/h2-9H,1H3
InChIKeyMWEWRYJNYBWAGW-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

5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 102175113) is 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MWEWRYJNYBWAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-19-13-7-5-10(6-8-13)15-17-14(18-20-15)11-3-2-4-12(16)9-11/h2-9H,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-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 3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102175113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).