2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate

C8H9F3N2O3 — CID 107258457

IUPAC2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate
SMILESCc1cnc(CNC(=O)OCC(F)(F)F)o1
InChIInChI=1S/C8H9F3N2O3/c1-5-2-12-6(16-5)3-13-7(14)15-4-8(9,10)11/h2H,3-4H2,1H3,(H,13,14)
InChIKeyAUFOAXOWOWPTEF-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.77
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate (PubChem CID 107258457) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate
PubChem CID107258457
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate
SMILESCc1cnc(CNC(=O)OCC(F)(F)F)o1
InChIInChI=1S/C8H9F3N2O3/c1-5-2-12-6(16-5)3-13-7(14)15-4-8(9,10)11/h2H,3-4H2,1H3,(H,13,14)
InChIKeyAUFOAXOWOWPTEF-UHFFFAOYSA-N
XLogP1.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate 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 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate (CID 107258457) is 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate is Cc1cnc(CNC(=O)OCC(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate?
The InChIKey is AUFOAXOWOWPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-5-2-12-6(16-5)3-13-7(14)15-4-8(9,10)11/h2H,3-4H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate has a molecular weight of 238.16 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(5-methyl-1,3-oxazol-2-yl)methyl]carbamate is sourced from PubChem (CID 107258457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).