3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

C15H10ClFN2O2 — CID 1435059

IUPAC3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccc(Cl)cc2)n1Cc1ccccc1F
InChIInChI=1S/C15H10ClFN2O2/c16-12-7-5-10(6-8-12)14-18-21-15(20)19(14)9-11-3-1-2-4-13(11)17/h1-8H,9H2
InChIKeyZQHJEVYBEIQDAK-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.34
Rot. Bonds3

About 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one

3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 1435059) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID1435059
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccc(Cl)cc2)n1Cc1ccccc1F
InChIInChI=1S/C15H10ClFN2O2/c16-12-7-5-10(6-8-12)14-18-21-15(20)19(14)9-11-3-1-2-4-13(11)17/h1-8H,9H2
InChIKeyZQHJEVYBEIQDAK-UHFFFAOYSA-N
XLogP3.34
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one (CID 1435059) is 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccc(Cl)cc2)n1Cc1ccccc1F.
What is the InChIKey of 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is ZQHJEVYBEIQDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-12-7-5-10(6-8-12)14-18-21-15(20)19(14)9-11-3-1-2-4-13(11)17/h1-8H,9H2.
What are the key properties of 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one?
3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 304.71 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 1435059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).