tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate

C10H13F3N2O3 — CID 129320252

IUPACtert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
SMILESCc1oc(C(F)(F)F)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H13F3N2O3/c1-5-6(14-7(17-5)10(11,12)13)15-8(16)18-9(2,3)4/h1-4H3,(H,15,16)
InChIKeyKBHCFPZQPUJTNE-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.35
Rot. Bonds1

About tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate

tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate (PubChem CID 129320252) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
PubChem CID129320252
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Nametert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
SMILESCc1oc(C(F)(F)F)nc1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H13F3N2O3/c1-5-6(14-7(17-5)10(11,12)13)15-8(16)18-9(2,3)4/h1-4H3,(H,15,16)
InChIKeyKBHCFPZQPUJTNE-UHFFFAOYSA-N
XLogP3.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate (CID 129320252) is tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate is Cc1oc(C(F)(F)F)nc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
The InChIKey is KBHCFPZQPUJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-5-6(14-7(17-5)10(11,12)13)15-8(16)18-9(2,3)4/h1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate?
tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate has a molecular weight of 266.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate is sourced from PubChem (CID 129320252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).