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

C17H21F3N2O2 — CID 166557585

IUPAC2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc(CNC3CCCC3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C17H21F3N2O2/c1-9(2)16-22-13-7-10(8-21-12-4-3-5-14(12)23)6-11(15(13)24-16)17(18,19)20/h6-7,9,12,14,21,23H,3-5,8H2,1-2H3
InChIKeyWSIPWBCGUVGVFT-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.97
Rot. Bonds4

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

2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol (PubChem CID 166557585) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
PubChem CID166557585
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2cc(CNC3CCCC3O)cc(C(F)(F)F)c2o1
InChIInChI=1S/C17H21F3N2O2/c1-9(2)16-22-13-7-10(8-21-12-4-3-5-14(12)23)6-11(15(13)24-16)17(18,19)20/h6-7,9,12,14,21,23H,3-5,8H2,1-2H3
InChIKeyWSIPWBCGUVGVFT-UHFFFAOYSA-N
XLogP3.97
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.97
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]cyclopentan-1-ol?
The IUPAC name of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol (CID 166557585) is 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol is CC(C)c1nc2cc(CNC3CCCC3O)cc(C(F)(F)F)c2o1.
What is the InChIKey of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol?
The InChIKey is WSIPWBCGUVGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-9(2)16-22-13-7-10(8-21-12-4-3-5-14(12)23)6-11(15(13)24-16)17(18,19)20/h6-7,9,12,14,21,23H,3-5,8H2,1-2H3.
What are the key properties of 2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol?
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol has a molecular weight of 342.36 g/mol, XLogP of 3.97, 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]cyclopentan-1-ol is sourced from PubChem (CID 166557585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).