3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol

C12H11F3N2O2 — CID 15353207

IUPAC3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol
SMILESOC1(C(F)(F)F)CC(c2c[nH]c3ccccc23)NO1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11(18)5-10(17-19-11)8-6-16-9-4-2-1-3-7(8)9/h1-4,6,10,16-18H,5H2
InChIKeyWBPRTWGYRGMOKY-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.38
Rot. Bonds1

About 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol

3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol (PubChem CID 15353207) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol
PubChem CID15353207
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol
SMILESOC1(C(F)(F)F)CC(c2c[nH]c3ccccc23)NO1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11(18)5-10(17-19-11)8-6-16-9-4-2-1-3-7(8)9/h1-4,6,10,16-18H,5H2
InChIKeyWBPRTWGYRGMOKY-UHFFFAOYSA-N
XLogP2.38
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
3-(6-fluoropiperidin-2-yl)-1H-indole
CID 154427287
(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
CID 22833237
3-(oxolan-3-yl)-1H-indole
CID 146673552
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
3-(oxan-2-yl)-1H-indole
CID 174577844
methane;3-piperidin-4-yl-1H-indole
CID 70444570
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 155248386
(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one
CID 15384307

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol?
The IUPAC name of 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol (CID 15353207) is 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol.
What is the SMILES notation for 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol?
The canonical SMILES for 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol is OC1(C(F)(F)F)CC(c2c[nH]c3ccccc23)NO1.
What is the InChIKey of 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol?
The InChIKey is WBPRTWGYRGMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)11(18)5-10(17-19-11)8-6-16-9-4-2-1-3-7(8)9/h1-4,6,10,16-18H,5H2.
What are the key properties of 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol?
3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol has a molecular weight of 272.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-5-(trifluoromethyl)-1,2-oxazolidin-5-ol is sourced from PubChem (CID 15353207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).