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

C15H13FN2O — CID 146178930

IUPAC5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1N=C(c2ccc(F)cc2)ON1
InChIInChI=1S/C15H13FN2O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-9,14,18H,1H3
InChIKeyDDVQMPLOLXGWNM-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.11
Rot. Bonds2

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

5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole (PubChem CID 146178930) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole
PubChem CID146178930
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1N=C(c2ccc(F)cc2)ON1
InChIInChI=1S/C15H13FN2O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-9,14,18H,1H3
InChIKeyDDVQMPLOLXGWNM-UHFFFAOYSA-N
XLogP3.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole (CID 146178930) is 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1N=C(c2ccc(F)cc2)ON1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
The InChIKey is DDVQMPLOLXGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-4-2-3-5-13(10)14-17-15(19-18-14)11-6-8-12(16)9-7-11/h2-9,14,18H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole has a molecular weight of 256.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(2-methylphenyl)-2,3-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 146178930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).