2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine

C12H10F3N3O — CID 43809134

IUPAC2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine
SMILESNC1(c2noc(C(F)(F)F)n2)Cc2ccccc2C1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-17-9(18-19-10)11(16)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6,16H2
InChIKeyUWYCIZMHJVJYJQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.04
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine

2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine (PubChem CID 43809134) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine
PubChem CID43809134
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine
SMILESNC1(c2noc(C(F)(F)F)n2)Cc2ccccc2C1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)10-17-9(18-19-10)11(16)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6,16H2
InChIKeyUWYCIZMHJVJYJQ-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine (CID 43809134) is 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine is NC1(c2noc(C(F)(F)F)n2)Cc2ccccc2C1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine?
The InChIKey is UWYCIZMHJVJYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)10-17-9(18-19-10)11(16)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6,16H2.
What are the key properties of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine?
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine has a molecular weight of 269.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 43809134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).