4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide

C13H15N3O4S — CID 79489950

IUPAC4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-8(16-13(17)12-9(2)15-7-20-12)10-3-5-11(6-4-10)21(14,18)19/h3-8H,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyHELSMZSHPSCZIM-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.12
Rot. Bonds4

About 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 79489950) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID79489950
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-8(16-13(17)12-9(2)15-7-20-12)10-3-5-11(6-4-10)21(14,18)19/h3-8H,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyHELSMZSHPSCZIM-UHFFFAOYSA-N
XLogP1.12
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
CID 95786807
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 8003959
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
4-methyl-N-(3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79487576
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732641
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide (CID 79489950) is 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is HELSMZSHPSCZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8(16-13(17)12-9(2)15-7-20-12)10-3-5-11(6-4-10)21(14,18)19/h3-8H,1-2H3,(H,16,17)(H2,14,18,19).
What are the key properties of 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79489950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).