[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol

C17H15F3N2O2 — CID 142503907

IUPAC[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1nc2c(C(O)c3ccc(C(F)(F)F)cc3)ccc(CN)c2o1
InChIInChI=1S/C17H15F3N2O2/c1-9-22-14-13(7-4-11(8-21)16(14)24-9)15(23)10-2-5-12(6-3-10)17(18,19)20/h2-7,15,23H,8,21H2,1H3
InChIKeyVZBSYMOXYQHUPU-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.70
Rot. Bonds3

About [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol

[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 142503907) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID142503907
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1nc2c(C(O)c3ccc(C(F)(F)F)cc3)ccc(CN)c2o1
InChIInChI=1S/C17H15F3N2O2/c1-9-22-14-13(7-4-11(8-21)16(14)24-9)15(23)10-2-5-12(6-3-10)17(18,19)20/h2-7,15,23H,8,21H2,1H3
InChIKeyVZBSYMOXYQHUPU-UHFFFAOYSA-N
XLogP3.70
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol (CID 142503907) is [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol is Cc1nc2c(C(O)c3ccc(C(F)(F)F)cc3)ccc(CN)c2o1.
What is the InChIKey of [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is VZBSYMOXYQHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-9-22-14-13(7-4-11(8-21)16(14)24-9)15(23)10-2-5-12(6-3-10)17(18,19)20/h2-7,15,23H,8,21H2,1H3.
What are the key properties of [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol?
[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 336.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 142503907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).