tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate

C15H14F4N2O3 — CID 69222861

IUPACtert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F4N2O3/c1-14(2,3)24-13(22)21-11-7-23-12(20-11)8-4-5-10(16)9(6-8)15(17,18)19/h4-7H,1-3H3,(H,21,22)
InChIKeyGLKJYCYIVFYVFX-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.85
Rot. Bonds2

About tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate

tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate (PubChem CID 69222861) has the molecular formula C15H14F4N2O3 and a molecular weight of 346.28 g/mol. Its IUPAC name is tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate
PubChem CID69222861
Molecular FormulaC15H14F4N2O3
Molecular Weight346.28 g/mol
Exact Mass346.09
IUPAC Nametert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F4N2O3/c1-14(2,3)24-13(22)21-11-7-23-12(20-11)8-4-5-10(16)9(6-8)15(17,18)19/h4-7H,1-3H3,(H,21,22)
InChIKeyGLKJYCYIVFYVFX-UHFFFAOYSA-N
XLogP4.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-2-carboxylic acid
CID 175654041
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
CID 59262979
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
CID 121234464
tert-butyl N-[4-[[6-(3,4-difluorophenyl)pyrimidin-4-yl]amino]phenyl]carbamate
CID 129316239
tert-butyl N-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]carbamate
CID 91756947
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide
CID 174234085
tert-butyl N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170490954
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25130764
tert-butyl N-[5-(3-amino-1H-pyrazol-5-yl)-2-fluorophenyl]carbamate
CID 117471970

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate (CID 69222861) is tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate?
The InChIKey is GLKJYCYIVFYVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O3/c1-14(2,3)24-13(22)21-11-7-23-12(20-11)8-4-5-10(16)9(6-8)15(17,18)19/h4-7H,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate?
tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate has a molecular weight of 346.28 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbamate is sourced from PubChem (CID 69222861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).