1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

C7H8F3N3O2 — CID 103951484

IUPAC1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccno1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-6(14)11-3-5-1-2-13-15-5/h1-2H,3-4H2,(H2,11,12,14)
InChIKeyKWBPVNNLXPLKGF-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.04
Rot. Bonds3

About 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103951484) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID103951484
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccno1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-6(14)11-3-5-1-2-13-15-5/h1-2H,3-4H2,(H2,11,12,14)
InChIKeyKWBPVNNLXPLKGF-UHFFFAOYSA-N
XLogP1.04
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 103951484) is 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1ccno1)NCC(F)(F)F.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is KWBPVNNLXPLKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)4-12-6(14)11-3-5-1-2-13-15-5/h1-2H,3-4H2,(H2,11,12,14).
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 223.15 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103951484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).