5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine

C14H12F3N3O — CID 115108852

IUPAC5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
SMILESCc1c(-c2oncc2N)c2ccc(C(F)(F)F)cc2n1C
InChIInChI=1S/C14H12F3N3O/c1-7-12(13-10(18)6-19-21-13)9-4-3-8(14(15,16)17)5-11(9)20(7)2/h3-6H,18H2,1-2H3
InChIKeyVDKTZQNRNXDXRF-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.74
Rot. Bonds1

About 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine

5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine (PubChem CID 115108852) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
PubChem CID115108852
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
SMILESCc1c(-c2oncc2N)c2ccc(C(F)(F)F)cc2n1C
InChIInChI=1S/C14H12F3N3O/c1-7-12(13-10(18)6-19-21-13)9-4-3-8(14(15,16)17)5-11(9)20(7)2/h3-6H,18H2,1-2H3
InChIKeyVDKTZQNRNXDXRF-UHFFFAOYSA-N
XLogP3.74
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1,2-dimethyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
CID 115108721
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
CID 117355368
2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 86664378
2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
CID 175473195
2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556

Frequently Asked Questions

What is the IUPAC name of 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine?
The IUPAC name of 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine (CID 115108852) is 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine is Cc1c(-c2oncc2N)c2ccc(C(F)(F)F)cc2n1C.
What is the InChIKey of 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine?
The InChIKey is VDKTZQNRNXDXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-7-12(13-10(18)6-19-21-13)9-4-3-8(14(15,16)17)5-11(9)20(7)2/h3-6H,18H2,1-2H3.
What are the key properties of 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine?
5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine has a molecular weight of 295.26 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine is sourced from PubChem (CID 115108852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).