1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea

C12H7F6N3O2 — CID 108811972

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C12H7F6N3O2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-10(22)20-9-1-2-23-21-9/h1-5H,(H2,19,20,21,22)
InChIKeyJXLCEPGQKJUHSD-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.36
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea

1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811972) has the molecular formula C12H7F6N3O2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID108811972
Molecular FormulaC12H7F6N3O2
Molecular Weight339.20 g/mol
Exact Mass339.04
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccon1
InChIInChI=1S/C12H7F6N3O2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-10(22)20-9-1-2-23-21-9/h1-5H,(H2,19,20,21,22)
InChIKeyJXLCEPGQKJUHSD-UHFFFAOYSA-N
XLogP4.36
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea 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

1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
1-(1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971367
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855
1-(4-aminophenyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 108897036
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811956
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea (CID 108811972) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccon1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is JXLCEPGQKJUHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3O2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-10(22)20-9-1-2-23-21-9/h1-5H,(H2,19,20,21,22).
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea?
1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 339.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).