3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine

C13H10F3N3O — CID 115107608

IUPAC3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine
SMILESCn1c(-c2cc(N)on2)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H10F3N3O/c1-19-10(9-6-11(17)20-18-9)5-7-3-2-4-8(12(7)19)13(14,15)16/h2-6H,17H2,1H3
InChIKeyXJMFUDCILKBJKY-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.43
Rot. Bonds1

About 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine

3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine (PubChem CID 115107608) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine
PubChem CID115107608
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine
SMILESCn1c(-c2cc(N)on2)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H10F3N3O/c1-19-10(9-6-11(17)20-18-9)5-7-3-2-4-8(12(7)19)13(14,15)16/h2-6H,17H2,1H3
InChIKeyXJMFUDCILKBJKY-UHFFFAOYSA-N
XLogP3.43
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine (CID 115107608) is 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine is Cn1c(-c2cc(N)on2)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine?
The InChIKey is XJMFUDCILKBJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-19-10(9-6-11(17)20-18-9)5-7-3-2-4-8(12(7)19)13(14,15)16/h2-6H,17H2,1H3.
What are the key properties of 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine?
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine has a molecular weight of 281.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 115107608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).