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

C17H18N2O4S — CID 112532614

IUPAC2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCC2CN(c3cccs3)C(=O)O2)c1
InChIInChI=1S/C17H18N2O4S/c1-22-13-5-2-4-12(8-13)9-15(20)18-10-14-11-19(17(21)23-14)16-6-3-7-24-16/h2-8,14H,9-11H2,1H3,(H,18,20)
InChIKeyDXPFNFKQTBENKQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.44
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide (PubChem CID 112532614) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
PubChem CID112532614
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCC2CN(c3cccs3)C(=O)O2)c1
InChIInChI=1S/C17H18N2O4S/c1-22-13-5-2-4-12(8-13)9-15(20)18-10-14-11-19(17(21)23-14)16-6-3-7-24-16/h2-8,14H,9-11H2,1H3,(H,18,20)
InChIKeyDXPFNFKQTBENKQ-UHFFFAOYSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532629
3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110476727
3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532639
2-(3-methoxyphenyl)-N-[[(5S)-3-[4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142671705
3-(3-methoxyphenyl)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110725983
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110328025
N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]oxolane-2-carboxamide
CID 84581229
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327902
N-[[(6R)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 97469218
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-methoxybenzamide
CID 110315564

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide (CID 112532614) is 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide is COc1cccc(CC(=O)NCC2CN(c3cccs3)C(=O)O2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide?
The InChIKey is DXPFNFKQTBENKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-13-5-2-4-12(8-13)9-15(20)18-10-14-11-19(17(21)23-14)16-6-3-7-24-16/h2-8,14H,9-11H2,1H3,(H,18,20).
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide is sourced from PubChem (CID 112532614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).