N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H19N3O5S — CID 55668860

IUPACN-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)C2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C18H19N3O5S/c1-21(25-2)27(23,24)15-10-8-14(9-11-15)19-18(22)17-12-16(20-26-17)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H,19,22)
InChIKeyUIZUEHZHLVKXFE-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.00
Rot. Bonds6

About N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55668860) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55668860
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)C2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C18H19N3O5S/c1-21(25-2)27(23,24)15-10-8-14(9-11-15)19-18(22)17-12-16(20-26-17)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H,19,22)
InChIKeyUIZUEHZHLVKXFE-UHFFFAOYSA-N
XLogP2.00
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43069083
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
3-[4-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]phenyl]propanoic acid
CID 99607682
methyl 2-chloro-5-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]benzoate
CID 55670977
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55668689
(5S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503549
(5R)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503725
(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089716
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436156
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619745
3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43353871
N-(2-methoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121534

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55668860) is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CON(C)S(=O)(=O)c1ccc(NC(=O)C2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UIZUEHZHLVKXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-21(25-2)27(23,24)15-10-8-14(9-11-15)19-18(22)17-12-16(20-26-17)13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55668860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).