2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole

C15H17F3N2O2 — CID 166557361

IUPAC2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1nc2cc(CN3CCOC(C)C3)cc(C(F)(F)F)c2o1
InChIInChI=1S/C15H17F3N2O2/c1-9-7-20(3-4-21-9)8-11-5-12(15(16,17)18)14-13(6-11)19-10(2)22-14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyWCJAIIQOGSXQGP-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.38
Rot. Bonds2

About 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole

2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 166557361) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole
PubChem CID166557361
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1nc2cc(CN3CCOC(C)C3)cc(C(F)(F)F)c2o1
InChIInChI=1S/C15H17F3N2O2/c1-9-7-20(3-4-21-9)8-11-5-12(15(16,17)18)14-13(6-11)19-10(2)22-14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyWCJAIIQOGSXQGP-UHFFFAOYSA-N
XLogP3.38
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole (CID 166557361) is 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole is Cc1nc2cc(CN3CCOC(C)C3)cc(C(F)(F)F)c2o1.
What is the InChIKey of 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is WCJAIIQOGSXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-9-7-20(3-4-21-9)8-11-5-12(15(16,17)18)14-13(6-11)19-10(2)22-14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole?
2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 314.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylmorpholin-4-yl)methyl]-7-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 166557361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).