N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide

C18H19N3O4S — CID 12005964

IUPACN'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC1OCCN1C(=O)c1cccs1
InChIInChI=1S/C18H19N3O4S/c22-16(19-11-13-5-2-1-3-6-13)17(23)20-12-15-21(8-9-25-15)18(24)14-7-4-10-26-14/h1-7,10,15H,8-9,11-12H2,(H,19,22)(H,20,23)
InChIKeyRFNJFHWZNUCZJI-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.98
Rot. Bonds5

About N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide

N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 12005964) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID12005964
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC1OCCN1C(=O)c1cccs1
InChIInChI=1S/C18H19N3O4S/c22-16(19-11-13-5-2-1-3-6-13)17(23)20-12-15-21(8-9-25-15)18(24)14-7-4-10-26-14/h1-7,10,15H,8-9,11-12H2,(H,19,22)(H,20,23)
InChIKeyRFNJFHWZNUCZJI-UHFFFAOYSA-N
XLogP0.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide (CID 12005964) is N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide is O=C(NCc1ccccc1)C(=O)NCC1OCCN1C(=O)c1cccs1.
What is the InChIKey of N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is RFNJFHWZNUCZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-16(19-11-13-5-2-1-3-6-13)17(23)20-12-15-21(8-9-25-15)18(24)14-7-4-10-26-14/h1-7,10,15H,8-9,11-12H2,(H,19,22)(H,20,23).
What are the key properties of N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 373.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 12005964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).