2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol

C15H19F3N2O2 — CID 166557811

IUPAC2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol
SMILESCc1nc2cc(CN(C)CC(C)(C)O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C15H19F3N2O2/c1-9-19-12-6-10(7-20(4)8-14(2,3)21)5-11(13(12)22-9)15(16,17)18/h5-6,21H,7-8H2,1-4H3
InChIKeyGWKYWEKKEDADDZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.36
Rot. Bonds4

About 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol

2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol (PubChem CID 166557811) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol
PubChem CID166557811
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol
SMILESCc1nc2cc(CN(C)CC(C)(C)O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C15H19F3N2O2/c1-9-19-12-6-10(7-20(4)8-14(2,3)21)5-11(13(12)22-9)15(16,17)18/h5-6,21H,7-8H2,1-4H3
InChIKeyGWKYWEKKEDADDZ-UHFFFAOYSA-N
XLogP3.36
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol 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-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol (CID 166557811) is 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol is Cc1nc2cc(CN(C)CC(C)(C)O)cc(C(F)(F)F)c2o1.
What is the InChIKey of 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol?
The InChIKey is GWKYWEKKEDADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9-19-12-6-10(7-20(4)8-14(2,3)21)5-11(13(12)22-9)15(16,17)18/h5-6,21H,7-8H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol has a molecular weight of 316.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[[2-methyl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 166557811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).