3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile

C13H6F3N3O — CID 155227556

IUPAC3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(-c3ocnc3C(F)(F)F)c2c1
InChIInChI=1S/C13H6F3N3O/c14-13(15,16)12-11(20-6-19-12)9-5-18-10-2-1-7(4-17)3-8(9)10/h1-3,5-6,18H
InChIKeyBZTPSLKNNVFPBB-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.71
Rot. Bonds1

About 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile

3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile (PubChem CID 155227556) has the molecular formula C13H6F3N3O and a molecular weight of 277.21 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile
PubChem CID155227556
Molecular FormulaC13H6F3N3O
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(-c3ocnc3C(F)(F)F)c2c1
InChIInChI=1S/C13H6F3N3O/c14-13(15,16)12-11(20-6-19-12)9-5-18-10-2-1-7(4-17)3-8(9)10/h1-3,5-6,18H
InChIKeyBZTPSLKNNVFPBB-UHFFFAOYSA-N
XLogP3.71
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
CID 154728760
3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile
CID 135380382
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-[2-(2,2,2-trifluoroethoxy)acetyl]-1H-indole-5-carbonitrile
CID 107919828
3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 138496672
3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
2-methyl-3-[8-(trifluoromethyl)quinolin-4-yl]-1H-indole-5-carbonitrile
CID 158743080
3-(2,2-dimethylpropanoyl)-1H-indole-5-carbonitrile
CID 103942640
3-acetyl-1H-indole-5-carbonitrile
CID 28505
3-(pyridin-4-ylmethyl)-1H-indole-5-carbonitrile
CID 11230037
6-(trifluoromethyl)phenanthrene-3-carbonitrile
CID 623245

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile (CID 155227556) is 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(-c3ocnc3C(F)(F)F)c2c1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile?
The InChIKey is BZTPSLKNNVFPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O/c14-13(15,16)12-11(20-6-19-12)9-5-18-10-2-1-7(4-17)3-8(9)10/h1-3,5-6,18H.
What are the key properties of 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile?
3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile has a molecular weight of 277.21 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 155227556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).