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

C12H8F3N3O — CID 136985669

IUPAC3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3c(C(F)(F)F)cccc3[nH]2)no1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)7-2-1-3-8-6(7)4-9(17-8)10-5-11(16)19-18-10/h1-5,17H,16H2
InChIKeyNRSIOGAIONBWSE-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.42
Rot. Bonds1

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

3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine (PubChem CID 136985669) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
PubChem CID136985669
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3c(C(F)(F)F)cccc3[nH]2)no1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)7-2-1-3-8-6(7)4-9(17-8)10-5-11(16)19-18-10/h1-5,17H,16H2
InChIKeyNRSIOGAIONBWSE-UHFFFAOYSA-N
XLogP3.42
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine (CID 136985669) is 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine is Nc1cc(-c2cc3c(C(F)(F)F)cccc3[nH]2)no1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine?
The InChIKey is NRSIOGAIONBWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)7-2-1-3-8-6(7)4-9(17-8)10-5-11(16)19-18-10/h1-5,17H,16H2.
What are the key properties of 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine?
3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine has a molecular weight of 267.21 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 136985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).