3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide

C18H18N2O5S — CID 112532639

About 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide (PubChem CID 112532639) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
• PubChem CID: 112532639
• Molecular Formula: C18H18N2O5S
• Molecular Weight: 374.42 g/mol
• Exact Mass: 374.09
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
• SMILES: O=C(CCc1ccc2c(c1)OCO2)NCC1CN(c2cccs2)C(=O)O1
• InChI: InChI=1S/C18H18N2O5S/c21-16(6-4-12-3-5-14-15(8-12)24-11-23-14)19-9-13-10-20(18(22)25-13)17-2-1-7-26-17/h1-3,5,7-8,13H,4,6,9-11H2,(H,19,21)
• InChIKey: WRFDTHVMQIKDOT-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.42
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide (CID 112532639) is 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)NCC1CN(c2cccs2)C(=O)O1.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?

The InChIKey is WRFDTHVMQIKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-16(6-4-12-3-5-14-15(8-12)24-11-23-14)19-9-13-10-20(18(22)25-13)17-2-1-7-26-17/h1-3,5,7-8,13H,4,6,9-11H2,(H,19,21).

What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?

3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide has a molecular weight of 374.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide is sourced from PubChem (CID 112532639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).