5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

C15H13ClN2O — CID 167105462

IUPAC5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1cccc(C2=NC(c3cccc(Cl)c3)ON2)c1
InChIInChI=1S/C15H13ClN2O/c1-10-4-2-5-11(8-10)14-17-15(19-18-14)12-6-3-7-13(16)9-12/h2-9,15H,1H3,(H,17,18)
InChIKeyFRQHRDDAXPHKQM-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.63
Rot. Bonds2

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

5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 167105462) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID167105462
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1cccc(C2=NC(c3cccc(Cl)c3)ON2)c1
InChIInChI=1S/C15H13ClN2O/c1-10-4-2-5-11(8-10)14-17-15(19-18-14)12-6-3-7-13(16)9-12/h2-9,15H,1H3,(H,17,18)
InChIKeyFRQHRDDAXPHKQM-UHFFFAOYSA-N
XLogP3.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 167105462) is 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1cccc(C2=NC(c3cccc(Cl)c3)ON2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FRQHRDDAXPHKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-4-2-5-11(8-10)14-17-15(19-18-14)12-6-3-7-13(16)9-12/h2-9,15H,1H3,(H,17,18).
What are the key properties of 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 272.74 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 167105462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).