N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine

C16H18F5N3O — CID 166557719

IUPACN-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NCCN3CC(F)(F)C3)cc(C(F)(F)F)c2o1
InChIInChI=1S/C16H18F5N3O/c1-9(2)14-23-12-6-10(5-11(13(12)25-14)16(19,20)21)22-3-4-24-7-15(17,18)8-24/h5-6,9,22H,3-4,7-8H2,1-2H3
InChIKeyZGGASEIVSYLCOB-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.33
Rot. Bonds5

About N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine

N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine (PubChem CID 166557719) has the molecular formula C16H18F5N3O and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine
PubChem CID166557719
Molecular FormulaC16H18F5N3O
Molecular Weight363.33 g/mol
Exact Mass363.14
IUPAC NameN-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine
SMILESCC(C)c1nc2cc(NCCN3CC(F)(F)C3)cc(C(F)(F)F)c2o1
InChIInChI=1S/C16H18F5N3O/c1-9(2)14-23-12-6-10(5-11(13(12)25-14)16(19,20)21)22-3-4-24-7-15(17,18)8-24/h5-6,9,22H,3-4,7-8H2,1-2H3
InChIKeyZGGASEIVSYLCOB-UHFFFAOYSA-N
XLogP4.33
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-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 N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine (CID 166557719) is N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine is CC(C)c1nc2cc(NCCN3CC(F)(F)C3)cc(C(F)(F)F)c2o1.
What is the InChIKey of N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine?
The InChIKey is ZGGASEIVSYLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F5N3O/c1-9(2)14-23-12-6-10(5-11(13(12)25-14)16(19,20)21)22-3-4-24-7-15(17,18)8-24/h5-6,9,22H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine?
N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine has a molecular weight of 363.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 166557719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).