2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

C20H17N3O4S — CID 20958983

IUPAC2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c2)o1
InChIInChI=1S/C20H17N3O4S/c1-13-3-4-16(19-12-21-14(2)26-19)11-20(13)28(24,25)23-17-7-5-15(6-8-17)18-9-10-22-27-18/h3-12,23H,1-2H3
InChIKeyBOWZSXCNFIKVJP-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.41
Rot. Bonds5

About 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide

2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 20958983) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
PubChem CID20958983
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c2)o1
InChIInChI=1S/C20H17N3O4S/c1-13-3-4-16(19-12-21-14(2)26-19)11-20(13)28(24,25)23-17-7-5-15(6-8-17)18-9-10-22-27-18/h3-12,23H,1-2H3
InChIKeyBOWZSXCNFIKVJP-UHFFFAOYSA-N
XLogP4.41
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 46345289
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
N-(3-chloro-2-methylphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958925
N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958930
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
5-[[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 92888479
methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate
CID 25334935
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 146041234
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide (CID 20958983) is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(-c4ccno4)cc3)c2)o1.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is BOWZSXCNFIKVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13-3-4-16(19-12-21-14(2)26-19)11-20(13)28(24,25)23-17-7-5-15(6-8-17)18-9-10-22-27-18/h3-12,23H,1-2H3.
What are the key properties of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide?
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 20958983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).