N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide

C21H16N2O7 — CID 40940886

IUPACN-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H16N2O7/c24-15-8-19(30-16-4-2-1-3-14(15)16)20(25)22-9-13-10-23(21(26)29-13)12-5-6-17-18(7-12)28-11-27-17/h1-8,13H,9-11H2,(H,22,25)/t13-/m1/s1
InChIKeyLCELYCXWLOBMGE-CYBMUJFWSA-N
MW408.37 g/mol
LogP2.28
Rot. Bonds4

About N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide

N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 40940886) has the molecular formula C21H16N2O7 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
PubChem CID40940886
Molecular FormulaC21H16N2O7
Molecular Weight408.37 g/mol
Exact Mass408.10
IUPAC NameN-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H16N2O7/c24-15-8-19(30-16-4-2-1-3-14(15)16)20(25)22-9-13-10-23(21(26)29-13)12-5-6-17-18(7-12)28-11-27-17/h1-8,13H,9-11H2,(H,22,25)/t13-/m1/s1
InChIKeyLCELYCXWLOBMGE-CYBMUJFWSA-N
XLogP2.28
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940887
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16921978
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 16921039
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921998
1-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 51446275
(E)-N-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51453771
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzenesulfonamide
CID 16922780
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide
CID 66953973
3-(1,3-benzodioxol-5-yl)-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 112532639
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
1-(1,3-benzodioxol-5-yl)-3-[[2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]urea
CID 16923325

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide (CID 40940886) is N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide is O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is LCELYCXWLOBMGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H16N2O7/c24-15-8-19(30-16-4-2-1-3-14(15)16)20(25)22-9-13-10-23(21(26)29-13)12-5-6-17-18(7-12)28-11-27-17/h1-8,13H,9-11H2,(H,22,25)/t13-/m1/s1.
What are the key properties of N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide?
N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 408.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 40940886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).