1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one

C15H11FN2O2 — CID 165084304

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc2nonc2c1
InChIInChI=1S/C15H11FN2O2/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14-15(9-11)18-20-17-14/h1-6,9H,7-8H2
InChIKeyVPZWXNUBGMGODP-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.72
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one

1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one (PubChem CID 165084304) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one
PubChem CID165084304
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)Cc1ccc2nonc2c1
InChIInChI=1S/C15H11FN2O2/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14-15(9-11)18-20-17-14/h1-6,9H,7-8H2
InChIKeyVPZWXNUBGMGODP-UHFFFAOYSA-N
XLogP2.72
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one (CID 165084304) is 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1)Cc1ccc2nonc2c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one?
The InChIKey is VPZWXNUBGMGODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14-15(9-11)18-20-17-14/h1-6,9H,7-8H2.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one?
1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one has a molecular weight of 270.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 165084304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).