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

C15H18N2O4S — CID 122274844

IUPAC3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccsc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H18N2O4S/c1-10-4-5-22-12(10)2-3-13(18)16-6-11(7-16)8-17-14(19)9-21-15(17)20/h4-5,11H,2-3,6-9H2,1H3
InChIKeyWGWQUHCBJLDCDP-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.43
Rot. Bonds5

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

3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122274844) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122274844
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccsc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C15H18N2O4S/c1-10-4-5-22-12(10)2-3-13(18)16-6-11(7-16)8-17-14(19)9-21-15(17)20/h4-5,11H,2-3,6-9H2,1H3
InChIKeyWGWQUHCBJLDCDP-UHFFFAOYSA-N
XLogP1.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-(6-Thiophen-3-ylhexanoyl)-1,3-oxazolidin-2-one
CID 132141180
3-(3-Methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
CID 171346967
3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 146166989
3-(1-(2-(Thiophen-2-yl)acetyl)azetidin-3-yl)oxazolidine-2,4-dione
CID 91814790
3-(1-(1-(Thiophen-2-yl)cyclopentanecarbonyl)azetidin-3-yl)oxazolidine-2,4-dione
CID 91814805
3-(1-(3-(3-Methylthiophen-2-yl)propanoyl)azetidin-3-yl)oxazolidine-2,4-dione
CID 92079238
3-[1-(1-Methyl-6-oxo-4-thiophen-2-ylpyridine-3-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 92079379
3-[1-(1-Methyl-6-oxo-4-thiophen-3-ylpyridine-3-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 92079380
3-(1-(3-(3-Methylthiophen-2-yl)propanoyl)pyrrolidin-3-yl)oxazolidine-2,4-dione
CID 92081248
3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one
CID 101389240
3-((1-(3-(4-(Methylthio)phenyl)propanoyl)azetidin-3-yl)methyl)oxazolidine-2,4-dione
CID 119105356
3-(1-(3-(3-Methylthiophen-2-yl)propanoyl)piperidin-4-yl)oxazolidine-2,4-dione
CID 121156582

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 122274844) is 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1ccsc1CCC(=O)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is WGWQUHCBJLDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-4-5-22-12(10)2-3-13(18)16-6-11(7-16)8-17-14(19)9-21-15(17)20/h4-5,11H,2-3,6-9H2,1H3.
What are the key properties of 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 322.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(3-methylthiophen-2-yl)propanoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122274844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).