N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C19H25N5O6S — CID 18561381

IUPACN-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C19H25N5O6S/c1-29-15-3-5-16(6-4-15)31(27,28)24-11-12-30-17(24)13-22-19(26)18(25)21-7-2-9-23-10-8-20-14-23/h3-6,8,10,14,17H,2,7,9,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyDJYBULGMMTVBNG-UHFFFAOYSA-N
MW451.51 g/mol
LogP-0.44
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 18561381) has the molecular formula C19H25N5O6S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID18561381
Molecular FormulaC19H25N5O6S
Molecular Weight451.51 g/mol
Exact Mass451.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C19H25N5O6S/c1-29-15-3-5-16(6-4-15)31(27,28)24-11-12-30-17(24)13-22-19(26)18(25)21-7-2-9-23-10-8-20-14-23/h3-6,8,10,14,17H,2,7,9,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyDJYBULGMMTVBNG-UHFFFAOYSA-N
XLogP-0.44
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(2R)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 41092684
N'-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 40785491
N'-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 42399503
N-[2-(2-methoxyphenyl)ethyl]-N'-[[(2S)-3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140108
N-(2-methoxyethyl)-N'-[[(2S)-3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41130177
N-[[(2S)-3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 41092772
N-[2-(dimethylamino)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 16808147
N'-[(4-fluorophenyl)methyl]-N-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561376
N'-[[3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 16807567
N'-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
CID 41140060
N'-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N-(2-methoxyethyl)oxamide
CID 7196292
N-[2-(4-chlorophenyl)ethyl]-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18562438

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 18561381) is N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is COc1ccc(S(=O)(=O)N2CCOC2CNC(=O)C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is DJYBULGMMTVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O6S/c1-29-15-3-5-16(6-4-15)31(27,28)24-11-12-30-17(24)13-22-19(26)18(25)21-7-2-9-23-10-8-20-14-23/h3-6,8,10,14,17H,2,7,9,11-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 451.51 g/mol, XLogP of -0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N'-[[3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 18561381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).