5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide

C15H19N3O4S — CID 122189948

IUPAC5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)c(C)c1
InChIInChI=1S/C15H19N3O4S/c1-4-7-23(20,21)18-12-5-6-14(10(2)8-12)17-15(19)13-9-16-22-11(13)3/h5-6,8-9,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyXHCOXTQVOUXAGN-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.70
Rot. Bonds6

About 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189948) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189948
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)c(C)c1
InChIInChI=1S/C15H19N3O4S/c1-4-7-23(20,21)18-12-5-6-14(10(2)8-12)17-15(19)13-9-16-22-11(13)3/h5-6,8-9,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyXHCOXTQVOUXAGN-UHFFFAOYSA-N
XLogP2.70
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-N-[2-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2-oxazole-4-carboxamide
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5-methyl-N-[2-methyl-5-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 122189947
5-Methyl-N-(4-methylphenyl)isoxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide (CID 122189948) is 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide is CCCS(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)c(C)c1.
What is the InChIKey of 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XHCOXTQVOUXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-7-23(20,21)18-12-5-6-14(10(2)8-12)17-15(19)13-9-16-22-11(13)3/h5-6,8-9,18H,4,7H2,1-3H3,(H,17,19).
What are the key properties of 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-4-(propylsulfonylamino)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).