1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

C7H8F3N3O2 — CID 116658005

IUPAC1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1coc(NC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O2/c1-4-2-15-6(12-4)13-5(14)11-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyWAXDFIRHLFQQKI-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.67
Rot. Bonds2

About 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116658005) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116658005
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1coc(NC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O2/c1-4-2-15-6(12-4)13-5(14)11-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyWAXDFIRHLFQQKI-UHFFFAOYSA-N
XLogP1.67
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 116658005) is 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1coc(NC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WAXDFIRHLFQQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-4-2-15-6(12-4)13-5(14)11-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 223.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-oxazol-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116658005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).