[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea

C10H7F3N4O3 — CID 151952795

IUPAC[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cccc(C(F)(F)F)c1-c1n[nH]c(=O)o1
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)4-2-1-3-5(15-8(14)18)6(4)7-16-17-9(19)20-7/h1-3H,(H,17,19)(H3,14,15,18)
InChIKeyTWZZELDSJXSUPR-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.54
Rot. Bonds2

About [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea

[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea (PubChem CID 151952795) has the molecular formula C10H7F3N4O3 and a molecular weight of 288.19 g/mol. Its IUPAC name is [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea
PubChem CID151952795
Molecular FormulaC10H7F3N4O3
Molecular Weight288.19 g/mol
Exact Mass288.05
IUPAC Name[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cccc(C(F)(F)F)c1-c1n[nH]c(=O)o1
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)4-2-1-3-5(15-8(14)18)6(4)7-16-17-9(19)20-7/h1-3H,(H,17,19)(H3,14,15,18)
InChIKeyTWZZELDSJXSUPR-UHFFFAOYSA-N
XLogP1.54
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea 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 [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea (CID 151952795) is [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea is NC(=O)Nc1cccc(C(F)(F)F)c1-c1n[nH]c(=O)o1.
What is the InChIKey of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea?
The InChIKey is TWZZELDSJXSUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O3/c11-10(12,13)4-2-1-3-5(15-8(14)18)6(4)7-16-17-9(19)20-7/h1-3H,(H,17,19)(H3,14,15,18).
What are the key properties of [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea?
[2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea has a molecular weight of 288.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 151952795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).