phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate

C14H13F3N2O3 — CID 66894293

IUPACphenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILESCC(CF)(c1cc(NC(=O)Oc2ccccc2)no1)C(F)F
InChIInChI=1S/C14H13F3N2O3/c1-14(8-15,12(16)17)10-7-11(19-22-10)18-13(20)21-9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,18,19,20)
InChIKeyARVSRRQIASOZEV-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.78
Rot. Bonds5

About phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate

phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate (PubChem CID 66894293) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
PubChem CID66894293
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Namephenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILESCC(CF)(c1cc(NC(=O)Oc2ccccc2)no1)C(F)F
InChIInChI=1S/C14H13F3N2O3/c1-14(8-15,12(16)17)10-7-11(19-22-10)18-13(20)21-9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,18,19,20)
InChIKeyARVSRRQIASOZEV-UHFFFAOYSA-N
XLogP3.78
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66876148
phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
CID 66876524
phenyl N-deuterio-N-[4-deuterio-5-(1,1,3,3-tetradeuterio-1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 87287802
phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
CID 170545487
phenyl N-(1,1,2-trifluoroethyl)carbamate
CID 155690482
phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394007
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
[3-(methoxycarbonylamino)phenyl] N-(1-chlorobutan-2-yl)carbamate;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 66603792
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
CID 44565773

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The IUPAC name of phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate (CID 66894293) is phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The canonical SMILES for phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is CC(CF)(c1cc(NC(=O)Oc2ccccc2)no1)C(F)F.
What is the InChIKey of phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The InChIKey is ARVSRRQIASOZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-14(8-15,12(16)17)10-7-11(19-22-10)18-13(20)21-9-5-3-2-4-6-9/h2-7,12H,8H2,1H3,(H,18,19,20).
What are the key properties of phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate has a molecular weight of 314.26 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 66894293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).