methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

C17H18N2O3S — CID 160931998

IUPACmethane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESC.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14N2O3S.CH4/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;/h2-10H,1H3,(H2,17,19,20);1H4
InChIKeySTJPBVJAZMKBGQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.60
Rot. Bonds3

About methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 160931998) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Namemethane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID160931998
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Namemethane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESC.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H14N2O3S.CH4/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;/h2-10H,1H3,(H2,17,19,20);1H4
InChIKeySTJPBVJAZMKBGQ-UHFFFAOYSA-N
XLogP3.60
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
CID 142774855
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
2,2-dimethyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
CID 22643578
4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 19608718
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbutanamide
CID 10501495
2-hydroxy-2-[[3-phenyl-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]propanoic acid
CID 152771184
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 16722696

Frequently Asked Questions

What is the IUPAC name of methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 160931998) is methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is C.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is STJPBVJAZMKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S.CH4/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;/h2-10H,1H3,(H2,17,19,20);1H4.
What are the key properties of methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 160931998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).