5-(trifluoromethyl)-1,2-benzoxazol-3-amine

C8H5F3N2O — CID 43811099

IUPAC5-(trifluoromethyl)-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)
InChIKeyLSKOZQNIAMSAIB-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.43
Rot. Bonds

About 5-(trifluoromethyl)-1,2-benzoxazol-3-amine

5-(trifluoromethyl)-1,2-benzoxazol-3-amine (PubChem CID 43811099) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2-benzoxazol-3-amine
PubChem CID43811099
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name5-(trifluoromethyl)-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)
InChIKeyLSKOZQNIAMSAIB-UHFFFAOYSA-N
XLogP2.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(trifluoromethyl)-1,2-benzoxazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

1,2-Benzoxazol-3-amine
CID 2779749
4-Bromo-1,2-benzoxazol-3-amine
CID 45588471
6-Chloro-1,2-benzoxazol-3-amine
CID 10855900
4-Iodo-1,2-benzoxazol-3-amine
CID 24808326
3-Amino-1,2-benzisoxazole-6-methanamine
CID 22064731
4-(3-Methylphenyl)-1,2-benzoxazol-3-amine
CID 49830766
6-(Trifluoromethyl)-1,2-benzoxazol-3-amine
CID 10608155
6-Bromo-1,2-benzoxazol-3-amine
CID 10608621
7-Trifluoromethyl-benzo[d]isoxazol-3-ylamine
CID 10774456
3-Chloro-5-methyl-1,2-benzoxazole
CID 15453990
4-Fluoro-1,2-benzoxazol-3-amine
CID 16637457
5-Methyl-1,2-benzisoxazol-3-amine
CID 18679292

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The IUPAC name of 5-(trifluoromethyl)-1,2-benzoxazol-3-amine (CID 43811099) is 5-(trifluoromethyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-(trifluoromethyl)-1,2-benzoxazol-3-amine is Nc1noc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 5-(trifluoromethyl)-1,2-benzoxazol-3-amine?
The InChIKey is LSKOZQNIAMSAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13).
What are the key properties of 5-(trifluoromethyl)-1,2-benzoxazol-3-amine?
5-(trifluoromethyl)-1,2-benzoxazol-3-amine has a molecular weight of 202.14 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 43811099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).