3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H20N4O5S — CID 69104580

IUPAC3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCS(=O)(=O)N=C(c1ccc(N2CC(C(N)=O)OC2=O)cc1)N1CCCC1
InChIInChI=1S/C16H20N4O5S/c1-26(23,24)18-15(19-8-2-3-9-19)11-4-6-12(7-5-11)20-10-13(14(17)21)25-16(20)22/h4-7,13H,2-3,8-10H2,1H3,(H2,17,21)
InChIKeyKRZXYHQZPCSMMX-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.30
Rot. Bonds4

About 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 69104580) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID69104580
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCS(=O)(=O)N=C(c1ccc(N2CC(C(N)=O)OC2=O)cc1)N1CCCC1
InChIInChI=1S/C16H20N4O5S/c1-26(23,24)18-15(19-8-2-3-9-19)11-4-6-12(7-5-11)20-10-13(14(17)21)25-16(20)22/h4-7,13H,2-3,8-10H2,1H3,(H2,17,21)
InChIKeyKRZXYHQZPCSMMX-UHFFFAOYSA-N
XLogP0.30
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 69104580) is 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is CS(=O)(=O)N=C(c1ccc(N2CC(C(N)=O)OC2=O)cc1)N1CCCC1.
What is the InChIKey of 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is KRZXYHQZPCSMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-26(23,24)18-15(19-8-2-3-9-19)11-4-6-12(7-5-11)20-10-13(14(17)21)25-16(20)22/h4-7,13H,2-3,8-10H2,1H3,(H2,17,21).
What are the key properties of 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 69104580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).