2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine

C11H11F3N2O — CID 82232029

IUPAC2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
SMILESCC(C)c1nc2cc(C(F)(F)F)cc(N)c2o1
InChIInChI=1S/C11H11F3N2O/c1-5(2)10-16-8-4-6(11(12,13)14)3-7(15)9(8)17-10/h3-5H,15H2,1-2H3
InChIKeyGHHBTUKPRUAUOB-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.55
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine

2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine (PubChem CID 82232029) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
PubChem CID82232029
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
SMILESCC(C)c1nc2cc(C(F)(F)F)cc(N)c2o1
InChIInChI=1S/C11H11F3N2O/c1-5(2)10-16-8-4-6(11(12,13)14)3-7(15)9(8)17-10/h3-5H,15H2,1-2H3
InChIKeyGHHBTUKPRUAUOB-UHFFFAOYSA-N
XLogP3.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine (CID 82232029) is 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine is CC(C)c1nc2cc(C(F)(F)F)cc(N)c2o1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine?
The InChIKey is GHHBTUKPRUAUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-5(2)10-16-8-4-6(11(12,13)14)3-7(15)9(8)17-10/h3-5H,15H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine?
2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine has a molecular weight of 244.22 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82232029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).