2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one

C21H21NO2 — CID 14787845

IUPAC2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)OC1(C1CC1)C1CC1
InChIInChI=1S/C21H21NO2/c23-20-21(17-11-12-17,18-13-14-18)24-22(20)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKeyXEDUTHVTZSFSSG-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.11
Rot. Bonds5

About 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one

2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one (PubChem CID 14787845) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one.

Molecular Properties

Compound Name2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one
PubChem CID14787845
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)OC1(C1CC1)C1CC1
InChIInChI=1S/C21H21NO2/c23-20-21(17-11-12-17,18-13-14-18)24-22(20)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKeyXEDUTHVTZSFSSG-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one?
The IUPAC name of 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one (CID 14787845) is 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one.
What is the SMILES notation for 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one?
The canonical SMILES for 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one is O=C1N(C(c2ccccc2)c2ccccc2)OC1(C1CC1)C1CC1.
What is the InChIKey of 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one?
The InChIKey is XEDUTHVTZSFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20-21(17-11-12-17,18-13-14-18)24-22(20)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2.
What are the key properties of 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one?
2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one has a molecular weight of 319.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one is sourced from PubChem (CID 14787845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).