5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole

C12H8F4N2O — CID 168925922

IUPAC5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
SMILESFc1ccc2[nH]cc(C3=CNC(C(F)(F)F)O3)c2c1
InChIInChI=1S/C12H8F4N2O/c13-6-1-2-9-7(3-6)8(4-17-9)10-5-18-11(19-10)12(14,15)16/h1-5,11,17-18H
InChIKeyRVNXWPFGKOWTFO-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.11
Rot. Bonds1

About 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole

5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole (PubChem CID 168925922) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
PubChem CID168925922
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
SMILESFc1ccc2[nH]cc(C3=CNC(C(F)(F)F)O3)c2c1
InChIInChI=1S/C12H8F4N2O/c13-6-1-2-9-7(3-6)8(4-17-9)10-5-18-11(19-10)12(14,15)16/h1-5,11,17-18H
InChIKeyRVNXWPFGKOWTFO-UHFFFAOYSA-N
XLogP3.11
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
CID 162765518
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-fluoro-1H-indol-3-ol
CID 90083452
1-tert-butyl-3,4-bis(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149580
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 82385944
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269
2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
CID 73013513
3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
CID 122212167
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
The IUPAC name of 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole (CID 168925922) is 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole is Fc1ccc2[nH]cc(C3=CNC(C(F)(F)F)O3)c2c1.
What is the InChIKey of 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
The InChIKey is RVNXWPFGKOWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c13-6-1-2-9-7(3-6)8(4-17-9)10-5-18-11(19-10)12(14,15)16/h1-5,11,17-18H.
What are the key properties of 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole has a molecular weight of 272.20 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 168925922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).