2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

C16H14N2O4S — CID 173207146

IUPAC2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2ncoc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H14N2O4S/c1-21-12-8-6-11(7-9-12)15-16(22-10-18-15)13-4-2-3-5-14(13)23(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyUZPRVZXZWHFWQG-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 173207146) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID173207146
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2ncoc2-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H14N2O4S/c1-21-12-8-6-11(7-9-12)15-16(22-10-18-15)13-4-2-3-5-14(13)23(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyUZPRVZXZWHFWQG-UHFFFAOYSA-N
XLogP2.66
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(carbamothioic S-acid);methane;2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide;prop-1-yne;hydrate
CID 173207145
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
N-hydroxy-3-[4-(4-methoxyphenyl)-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 22505474
bis(carbamothioic S-acid);2-[4-(3-chloro-4-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide;methane;propane;hydrate
CID 173207308
2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 173207543
2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 91326938
2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 67622817
5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 141261437
bis(carbamothioic S-acid);methane;2-[3-(4-methoxyphenyl)-5-propylfuran-2-yl]benzenesulfonamide;hydrate
CID 173207187
2-(dimethylamino)-4-(4-methoxyphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10289228
2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67647129
4-(4-methoxyphenyl)-2-pyrrol-1-yl-N-[2-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10218138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 173207146) is 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is COc1ccc(-c2ncoc2-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is UZPRVZXZWHFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-21-12-8-6-11(7-9-12)15-16(22-10-18-15)13-4-2-3-5-14(13)23(17,19)20/h2-10H,1H3,(H2,17,19,20).
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 173207146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).