3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine

C13H10F3N3O — CID 136986044

IUPAC3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c1-c1cc(N)on1
InChIInChI=1S/C13H10F3N3O/c1-6-12(10-5-11(17)20-19-10)8-3-2-7(13(14,15)16)4-9(8)18-6/h2-5,18H,17H2,1H3
InChIKeyGMRANVSOASHLEJ-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.73
Rot. Bonds1

About 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine

3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine (PubChem CID 136986044) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
PubChem CID136986044
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
SMILESCc1[nH]c2cc(C(F)(F)F)ccc2c1-c1cc(N)on1
InChIInChI=1S/C13H10F3N3O/c1-6-12(10-5-11(17)20-19-10)8-3-2-7(13(14,15)16)4-9(8)18-6/h2-5,18H,17H2,1H3
InChIKeyGMRANVSOASHLEJ-UHFFFAOYSA-N
XLogP3.73
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
CID 115110529
3-[6-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
CID 136985587
5-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrazol-4-amine
CID 136986200
3-(4-chlorophenyl)-2-methyl-6-(trifluoromethyl)-1H-indole
CID 141083856
3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine
CID 136986026
3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
CID 136985669
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 136967038
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117398617

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine (CID 136986044) is 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine is Cc1[nH]c2cc(C(F)(F)F)ccc2c1-c1cc(N)on1.
What is the InChIKey of 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine?
The InChIKey is GMRANVSOASHLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-6-12(10-5-11(17)20-19-10)8-3-2-7(13(14,15)16)4-9(8)18-6/h2-5,18H,17H2,1H3.
What are the key properties of 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine?
3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine has a molecular weight of 281.24 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 136986044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).