3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione

C15H16N2O4 — CID 91814792

IUPAC3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(CC(=O)N2CC(N3C(=O)COC3=O)C2)c1
InChIInChI=1S/C15H16N2O4/c1-10-3-2-4-11(5-10)6-13(18)16-7-12(8-16)17-14(19)9-21-15(17)20/h2-5,12H,6-9H2,1H3
InChIKeyYWITURUWSRFQSU-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.73
Rot. Bonds3

About 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91814792) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91814792
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(CC(=O)N2CC(N3C(=O)COC3=O)C2)c1
InChIInChI=1S/C15H16N2O4/c1-10-3-2-4-11(5-10)6-13(18)16-7-12(8-16)17-14(19)9-21-15(17)20/h2-5,12H,6-9H2,1H3
InChIKeyYWITURUWSRFQSU-UHFFFAOYSA-N
XLogP0.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 91814792) is 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione is Cc1cccc(CC(=O)N2CC(N3C(=O)COC3=O)C2)c1.
What is the InChIKey of 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is YWITURUWSRFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-3-2-4-11(5-10)6-13(18)16-7-12(8-16)17-14(19)9-21-15(17)20/h2-5,12H,6-9H2,1H3.
What are the key properties of 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-methylphenyl)acetyl]azetidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91814792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).