5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione

C16H18N2O4 — CID 72933399

IUPAC5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CC(=O)N2CCC2c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O4/c1-16(2)14(20)18(15(21)22-16)10-13(19)17-9-8-12(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyNJVPJXNPZWCWMK-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.72
Rot. Bonds3

About 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 72933399) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID72933399
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CC(=O)N2CCC2c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O4/c1-16(2)14(20)18(15(21)22-16)10-13(19)17-9-8-12(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyNJVPJXNPZWCWMK-UHFFFAOYSA-N
XLogP1.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride
CID 154899739
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
5,5-dimethyl-3-[2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
CID 97271109
5-cyclopropyl-5-methyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56809766
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
2-(1-ethylpiperidin-4-yl)-1-(2-phenylazetidin-1-yl)ethanone
CID 72868998
4,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 154745406
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 97269250
5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
CID 72848064
5-methyl-3-[2-oxo-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 136529802
3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
CID 122019325

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione (CID 72933399) is 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CC(=O)N2CCC2c2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is NJVPJXNPZWCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-16(2)14(20)18(15(21)22-16)10-13(19)17-9-8-12(17)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72933399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).