5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole

C13H10F4N2O — CID 162765518

IUPAC5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
SMILESCC1=C(c2c[nH]c3ccc(F)cc23)OC(C(F)(F)F)N1
InChIInChI=1S/C13H10F4N2O/c1-6-11(20-12(19-6)13(15,16)17)9-5-18-10-3-2-7(14)4-8(9)10/h2-5,12,18-19H,1H3
InChIKeyIMXKNRNRLRSWKT-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.50
Rot. Bonds1

About 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole

5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole (PubChem CID 162765518) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
PubChem CID162765518
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
SMILESCC1=C(c2c[nH]c3ccc(F)cc23)OC(C(F)(F)F)N1
InChIInChI=1S/C13H10F4N2O/c1-6-11(20-12(19-6)13(15,16)17)9-5-18-10-3-2-7(14)4-8(9)10/h2-5,12,18-19H,1H3
InChIKeyIMXKNRNRLRSWKT-UHFFFAOYSA-N
XLogP3.50
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-fluoro-1H-indol-3-yl)-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
CID 168925922
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
1-tert-butyl-3,4-bis(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149580
5-fluoro-1H-indol-3-ol
CID 90083452
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
CID 73013513
3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
CID 122212167
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 82385944
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
The IUPAC name of 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole (CID 162765518) is 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole is CC1=C(c2c[nH]c3ccc(F)cc23)OC(C(F)(F)F)N1.
What is the InChIKey of 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
The InChIKey is IMXKNRNRLRSWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-6-11(20-12(19-6)13(15,16)17)9-5-18-10-3-2-7(14)4-8(9)10/h2-5,12,18-19H,1H3.
What are the key properties of 5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole?
5-(5-fluoro-1H-indol-3-yl)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole has a molecular weight of 286.23 g/mol, XLogP of 3.50, 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)-4-methyl-2-(trifluoromethyl)-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 162765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).