2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one

C8H5FN2O2 — CID 67572635

IUPAC2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one
SMILESO=C1N=NC(c2ccc(F)cc2)O1
InChIInChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4,7H
InChIKeyUWXSWDNNSMUTJB-UHFFFAOYSA-N
MW180.14 g/mol
LogP2.43
Rot. Bonds1

About 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one

2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one (PubChem CID 67572635) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one
PubChem CID67572635
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one
SMILESO=C1N=NC(c2ccc(F)cc2)O1
InChIInChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4,7H
InChIKeyUWXSWDNNSMUTJB-UHFFFAOYSA-N
XLogP2.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 14538
CID 14538
CID 456811
CID 456811
CID 11126814
CID 11126814
CID 11217423
CID 11217423
CID 11287883
CID 11287883
CID 89324377
CID 89324377
CID 22493925
CID 22493925
CID 57161320
CID 57161320
CID 58075426
CID 58075426
CID 67572637
CID 67572637
CID 67691312
CID 67691312
CID 69623757
CID 69623757

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one (CID 67572635) is 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one is O=C1N=NC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one?
The InChIKey is UWXSWDNNSMUTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4,7H.
What are the key properties of 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one?
2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one has a molecular weight of 180.14 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-one is sourced from PubChem (CID 67572635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).