[(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol

C20H22F3NO2 — CID 134999036

IUPAC[(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol
SMILESCC(C)(C)N1OC(CO)(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-18(2,3)24-17(14-9-11-16(12-10-14)20(21,22)23)19(13-25,26-24)15-7-5-4-6-8-15/h4-12,17,25H,13H2,1-3H3/t17-,19?/m0/s1
InChIKeyRAUHTSCJBRFSJC-KKFHFHRHSA-N
MW365.40 g/mol
LogP4.68
Rot. Bonds3

About [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol

[(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol (PubChem CID 134999036) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol
PubChem CID134999036
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name[(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol
SMILESCC(C)(C)N1OC(CO)(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-18(2,3)24-17(14-9-11-16(12-10-14)20(21,22)23)19(13-25,26-24)15-7-5-4-6-8-15/h4-12,17,25H,13H2,1-3H3/t17-,19?/m0/s1
InChIKeyRAUHTSCJBRFSJC-KKFHFHRHSA-N
XLogP4.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol?
The IUPAC name of [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol (CID 134999036) is [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol.
What is the SMILES notation for [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol?
The canonical SMILES for [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol is CC(C)(C)N1OC(CO)(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol?
The InChIKey is RAUHTSCJBRFSJC-KKFHFHRHSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-18(2,3)24-17(14-9-11-16(12-10-14)20(21,22)23)19(13-25,26-24)15-7-5-4-6-8-15/h4-12,17,25H,13H2,1-3H3/t17-,19?/m0/s1.
What are the key properties of [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol?
[(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol has a molecular weight of 365.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-tert-butyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]oxazetidin-4-yl]methanol is sourced from PubChem (CID 134999036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).