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

C5H4F3N3O2 — CID 14578079

IUPAC[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESNC(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(13-11-2)10-4(9)12/h1H,(H3,9,10,12)
InChIKeyFDHGSOKUPDOLKR-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.18
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (PubChem CID 14578079) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
PubChem CID14578079
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESNC(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(13-11-2)10-4(9)12/h1H,(H3,9,10,12)
InChIKeyFDHGSOKUPDOLKR-UHFFFAOYSA-N
XLogP1.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (CID 14578079) is [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is NC(=O)Nc1cc(C(F)(F)F)no1.
What is the InChIKey of [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The InChIKey is FDHGSOKUPDOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(13-11-2)10-4(9)12/h1H,(H3,9,10,12).
What are the key properties of [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea has a molecular weight of 195.10 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 14578079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).