N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H21N5O4S — CID 118370648

IUPACN-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C
InChIInChI=1S/C18H21N5O4S/c1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24)
InChIKeyNDRINEYAEPWCEB-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.52
Rot. Bonds8

About N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118370648) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118370648
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C
InChIInChI=1S/C18H21N5O4S/c1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24)
InChIKeyNDRINEYAEPWCEB-UHFFFAOYSA-N
XLogP1.52
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

US12331044, Example 59
CID 155925379
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-[3-(1H-imidazol-1-yl)propyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245017
N-(3-(1H-Imidazol-1-yl)propyl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 9550543
5-methyl-N-[(2S)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 138545265
5-(3-Hydroxyphenyl)-N-(3-(1H-imidazol-1-yl)propyl)-3-isoxazolecarboxamide
CID 16195528
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 2971764
5-(2,5-dimethoxyphenyl)-N-[3-(1H-imidazol-1-yl)propyl]isoxazole-3-carboxamide
CID 3236500
N-(3-imidazol-1-ylpropyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3242272
5-(4-bromophenyl)-N-[3-(1H-imidazol-1-yl)propyl]isoxazole-3-carboxamide
CID 16002457
5-(imidazol-1-ylmethyl)-N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-1,2-oxazole-3-carboxamide
CID 42639126
N-(3-(1H-Imidazol-1-yl)propyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 6619146

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118370648) is N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(CCCNC(=O)c1cc(-c2ccccc2)on1)S(=O)(=O)c1nccn1C.
What is the InChIKey of N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NDRINEYAEPWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-22-12-10-20-18(22)28(25,26)23(2)11-6-9-19-17(24)15-13-16(27-21-15)14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,19,24).
What are the key properties of N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(1-methylimidazol-2-yl)sulfonylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118370648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).