5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide

C15H19N3O4S — CID 74245279

IUPAC5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)c2ncoc2C)cc1
InChIInChI=1S/C15H19N3O4S/c1-11-4-6-13(7-5-11)23(20,21)18-9-3-8-16-15(19)14-12(2)22-10-17-14/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyNSKXWOVBXJLCKP-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.39
Rot. Bonds7

About 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide (PubChem CID 74245279) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide
PubChem CID74245279
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCCNC(=O)c2ncoc2C)cc1
InChIInChI=1S/C15H19N3O4S/c1-11-4-6-13(7-5-11)23(20,21)18-9-3-8-16-15(19)14-12(2)22-10-17-14/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyNSKXWOVBXJLCKP-UHFFFAOYSA-N
XLogP1.39
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
3-[3-[(4-methylphenyl)sulfonylamino]propylcarbamoylamino]propanoic acid
CID 131908004
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
(E)-3-(2-aminopyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]prop-2-enamide
CID 131924333
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide (CID 74245279) is 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide is Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ncoc2C)cc1.
What is the InChIKey of 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NSKXWOVBXJLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11-4-6-13(7-5-11)23(20,21)18-9-3-8-16-15(19)14-12(2)22-10-17-14/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74245279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).