5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole

C15H11ClN2O — CID 2056784

IUPAC5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1
InChIInChI=1S/C15H11ClN2O/c1-10-7-8-12(13(16)9-10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVKXJIEMSZDBZKJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.37
Rot. Bonds2

About 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole

5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 2056784) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID2056784
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1
InChIInChI=1S/C15H11ClN2O/c1-10-7-8-12(13(16)9-10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVKXJIEMSZDBZKJ-UHFFFAOYSA-N
XLogP4.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
3-Cyclohexyl-5-phenyl-1,2,4-oxadiazole
CID 876263
3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole
CID 302154
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 741929
3-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 2803952
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
3-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11438055
4-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole (CID 2056784) is 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is VKXJIEMSZDBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-7-8-12(13(16)9-10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole?
5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 270.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2056784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).