tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate

C11H13F3N2O3 — CID 83949617

IUPACtert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2nc(C(F)(F)F)oc2C1
InChIInChI=1S/C11H13F3N2O3/c1-10(2,3)19-9(17)16-4-6-7(5-16)18-8(15-6)11(12,13)14/h4-5H2,1-3H3
InChIKeyQSKHDRZACCXEPC-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.94
Rot. Bonds

About tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate

tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate (PubChem CID 83949617) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate
PubChem CID83949617
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Nametert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2nc(C(F)(F)F)oc2C1
InChIInChI=1S/C11H13F3N2O3/c1-10(2,3)19-9(17)16-4-6-7(5-16)18-8(15-6)11(12,13)14/h4-5H2,1-3H3
InChIKeyQSKHDRZACCXEPC-UHFFFAOYSA-N
XLogP2.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate?
The IUPAC name of tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate (CID 83949617) is tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate?
The canonical SMILES for tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate is CC(C)(C)OC(=O)N1Cc2nc(C(F)(F)F)oc2C1.
What is the InChIKey of tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate?
The InChIKey is QSKHDRZACCXEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-10(2,3)19-9(17)16-4-6-7(5-16)18-8(15-6)11(12,13)14/h4-5H2,1-3H3.
What are the key properties of tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate?
tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate has a molecular weight of 278.23 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate is sourced from PubChem (CID 83949617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).