3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C15H16N2O4 — CID 122274940

IUPAC3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1
InChIInChI=1S/C15H16N2O4/c1-10-3-2-4-12(5-10)14(19)16-6-11(7-16)8-17-13(18)9-21-15(17)20/h2-5,11H,6-9H2,1H3
InChIKeyAQCMXXXMOUBHBP-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.05
Rot. Bonds3

About 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274940) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274940
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1
InChIInChI=1S/C15H16N2O4/c1-10-3-2-4-12(5-10)14(19)16-6-11(7-16)8-17-13(18)9-21-15(17)20/h2-5,11H,6-9H2,1H3
InChIKeyAQCMXXXMOUBHBP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2432496
3-Benzoyl-1,3-oxazolidin-2-one
CID 839850
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide
CID 51097547
3-[6-Oxo-6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]benzamide
CID 145964521
4-[6-Oxo-6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]benzamide
CID 145976307
3-(3-Phenylbenzoyl)-1,3-oxazolidin-2-one
CID 132155626
3-Benzoyl-5-fluoro-1,3-oxazolidin-2-one
CID 177852019
3-(1-Benzoylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710652
3-(1-(2-(m-Tolyl)acetyl)azetidin-3-yl)oxazolidine-2,4-dione
CID 91814792
3-((1-(3-(3,4-Dimethylphenyl)propanoyl)azetidin-3-yl)methyl)oxazolidine-2,4-dione
CID 119105357
2-methoxy-N-[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 164639976
3-(4-Fluorobenzoyl)-1,3-oxazolidin-2-one
CID 141059294

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274940) is 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1cccc(C(=O)N2CC(CN3C(=O)COC3=O)C2)c1.
What is the InChIKey of 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is AQCMXXXMOUBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-3-2-4-12(5-10)14(19)16-6-11(7-16)8-17-13(18)9-21-15(17)20/h2-5,11H,6-9H2,1H3.
What are the key properties of 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).