1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one

C18H17F3N2O2 — CID 622095

IUPAC1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
SMILESCC1=Nc2c(C(F)(F)F)cccc2C12C=C1N(CC2)C(=O)OC1(C)C
InChIInChI=1S/C18H17F3N2O2/c1-10-17(7-8-23-13(9-17)16(2,3)25-15(23)24)11-5-4-6-12(14(11)22-10)18(19,20)21/h4-6,9H,7-8H2,1-3H3
InChIKeyYDCOFAZZLCESHB-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.57
Rot. Bonds

About 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one

1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one (PubChem CID 622095) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one.

Molecular Properties

Compound Name1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
PubChem CID622095
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
SMILESCC1=Nc2c(C(F)(F)F)cccc2C12C=C1N(CC2)C(=O)OC1(C)C
InChIInChI=1S/C18H17F3N2O2/c1-10-17(7-8-23-13(9-17)16(2,3)25-15(23)24)11-5-4-6-12(14(11)22-10)18(19,20)21/h4-6,9H,7-8H2,1-3H3
InChIKeyYDCOFAZZLCESHB-UHFFFAOYSA-N
XLogP4.57
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 135026078
Tert-butyl 2-methylspiro[indole-3,4'-piperidine]-1'-carboxylate
CID 132327585
CID 135026077
CID 135026077
Tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 166444841
CID 145713903
CID 145713903
Tert-butyl spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 176371744
5'-Chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
CID 23790368
tert-butyl 4a-prop-2-enyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
CID 102406840
3-[(E)-3-(2,3-dimethylindol-3-yl)prop-1-enyl]-1,3-oxazolidin-2-one
CID 132603164
tert-butyl (6S)-6-(3H-indol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 158048791
tert-butyl (2S)-2-(3H-indol-2-yl)-2-methylpyrrolidine-1-carboxylate
CID 160265634

Frequently Asked Questions

What is the IUPAC name of 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
The IUPAC name of 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one (CID 622095) is 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one.
What is the SMILES notation for 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
The canonical SMILES for 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one is CC1=Nc2c(C(F)(F)F)cccc2C12C=C1N(CC2)C(=O)OC1(C)C.
What is the InChIKey of 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
The InChIKey is YDCOFAZZLCESHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10-17(7-8-23-13(9-17)16(2,3)25-15(23)24)11-5-4-6-12(14(11)22-10)18(19,20)21/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one has a molecular weight of 350.34 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2'-trimethyl-7'-(trifluoromethyl)spiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one is sourced from PubChem (CID 622095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).