3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide

C18H20N2O4S — CID 112532629

IUPAC3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CN(c3cccs3)C(=O)O2)cc1
InChIInChI=1S/C18H20N2O4S/c1-23-14-7-4-13(5-8-14)6-9-16(21)19-11-15-12-20(18(22)24-15)17-3-2-10-25-17/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,19,21)
InChIKeyHADDGRDDKTUDJN-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.83
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide (PubChem CID 112532629) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
PubChem CID112532629
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CN(c3cccs3)C(=O)O2)cc1
InChIInChI=1S/C18H20N2O4S/c1-23-14-7-4-13(5-8-14)6-9-16(21)19-11-15-12-20(18(22)24-15)17-3-2-10-25-17/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,19,21)
InChIKeyHADDGRDDKTUDJN-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 112532614
3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532639
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110328128
N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16920833
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pentanamide
CID 16921302
N,N-dimethyl-4-[3-oxo-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methylamino]propyl]benzamide
CID 110311010
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 16921393
3-(3-methoxyphenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110725983
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
3-(3,4-dimethoxyphenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110741572
3-(4-ethylphenyl)-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 112532685

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide (CID 112532629) is 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2CN(c3cccs3)C(=O)O2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?
The InChIKey is HADDGRDDKTUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-14-7-4-13(5-8-14)6-9-16(21)19-11-15-12-20(18(22)24-15)17-3-2-10-25-17/h2-5,7-8,10,15H,6,9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide has a molecular weight of 360.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide is sourced from PubChem (CID 112532629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).