ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

C11H13F3N2O4 — CID 151081053

IUPACethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCC(COC(F)(F)F)O2
InChIInChI=1S/C11H13F3N2O4/c1-2-18-10(17)8-5-9-16(15-8)4-3-7(20-9)6-19-11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyMKCZOIVGWSSTFF-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.75
Rot. Bonds4

About ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate

ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate (PubChem CID 151081053) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
PubChem CID151081053
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Nameethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCC(COC(F)(F)F)O2
InChIInChI=1S/C11H13F3N2O4/c1-2-18-10(17)8-5-9-16(15-8)4-3-7(20-9)6-19-11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyMKCZOIVGWSSTFF-UHFFFAOYSA-N
XLogP1.75
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-phenylmethoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
CID 150217148
5-[2-(1-fluoroethoxy)ethyl]-N-oxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 166655099
ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 176717659
2-[2-(2,2,2-trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150513468
2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 151298679
ethyl 5-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58465837
ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928
ethyl 5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 90277058
ethyl 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate
CID 134363816
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
The IUPAC name of ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate (CID 151081053) is ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
The canonical SMILES for ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCC(COC(F)(F)F)O2.
What is the InChIKey of ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
The InChIKey is MKCZOIVGWSSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-2-18-10(17)8-5-9-16(15-8)4-3-7(20-9)6-19-11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate?
ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate has a molecular weight of 294.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(trifluoromethoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate is sourced from PubChem (CID 151081053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).