azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol

C16H21F3N2O2 — CID 166556824

IUPACazetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol
SMILESC1CNC1.CC(C)c1nc2cc(CCO)cc(C(F)(F)F)c2o1
InChIInChI=1S/C13H14F3NO2.C3H7N/c1-7(2)12-17-10-6-8(3-4-18)5-9(11(10)19-12)13(14,15)16;1-2-4-3-1/h5-7,18H,3-4H2,1-2H3;4H,1-3H2
InChIKeyABYGBAYODRJBBD-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.48
Rot. Bonds3

About azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol

azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol (PubChem CID 166556824) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol.

Molecular Properties

Compound Nameazetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol
PubChem CID166556824
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Nameazetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol
SMILESC1CNC1.CC(C)c1nc2cc(CCO)cc(C(F)(F)F)c2o1
InChIInChI=1S/C13H14F3NO2.C3H7N/c1-7(2)12-17-10-6-8(3-4-18)5-9(11(10)19-12)13(14,15)16;1-2-4-3-1/h5-7,18H,3-4H2,1-2H3;4H,1-3H2
InChIKeyABYGBAYODRJBBD-UHFFFAOYSA-N
XLogP3.48
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxolane;[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanamine
CID 166557567
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
5-[[(3aR,6aS)-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-3-yl]methyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazole
CID 176752704
2-methoxy-N-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]cyclopentan-1-amine
CID 166556677
[(1-hydroxycyclobutyl)methylamino]-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methanediol
CID 166557943
cis-(1S,2R)-2-[[(1R)-1-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethyl]amino]cyclopentan-1-ol
CID 167275276
[7-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazol-5-yl]methanol
CID 166557542
N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-amine
CID 166557719
2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
CID 82232029
7-fluoro-5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-benzoxazole
CID 166557061

Frequently Asked Questions

What is the IUPAC name of azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol?
The IUPAC name of azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol (CID 166556824) is azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol.
What is the SMILES notation for azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol?
The canonical SMILES for azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol is C1CNC1.CC(C)c1nc2cc(CCO)cc(C(F)(F)F)c2o1.
What is the InChIKey of azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol?
The InChIKey is ABYGBAYODRJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2.C3H7N/c1-7(2)12-17-10-6-8(3-4-18)5-9(11(10)19-12)13(14,15)16;1-2-4-3-1/h5-7,18H,3-4H2,1-2H3;4H,1-3H2.
What are the key properties of azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol?
azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol has a molecular weight of 330.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;2-[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]ethanol is sourced from PubChem (CID 166556824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).