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

C18H23F3N2O2 — CID 166557173

IUPAC2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCC(C)c1nc2cc(CNC3CCCCC3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-3-4-6-15(13)24/h7-8,10,13,15,22,24H,3-6,9H2,1-2H3
InChIKeyOAFPRRJDLPWVRY-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.36
Rot. Bonds4

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

2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol (PubChem CID 166557173) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
PubChem CID166557173
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCC(C)c1nc2cc(CNC3CCCCC3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-3-4-6-15(13)24/h7-8,10,13,15,22,24H,3-6,9H2,1-2H3
InChIKeyOAFPRRJDLPWVRY-UHFFFAOYSA-N
XLogP4.36
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol (CID 166557173) is 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol is CC(C)c1nc2cc(CNC3CCCCC3O)cc(C(F)(F)F)c2o1.
What is the InChIKey of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
The InChIKey is OAFPRRJDLPWVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-10(2)17-23-14-8-11(7-12(16(14)25-17)18(19,20)21)9-22-13-5-3-4-6-15(13)24/h7-8,10,13,15,22,24H,3-6,9H2,1-2H3.
What are the key properties of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol?
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol has a molecular weight of 356.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 166557173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).