N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C17H13N3O6S — CID 110402478

IUPACN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H13N3O6S/c1-24-11-4-2-10(3-5-11)13-9-18-26-16(13)20-27(22,23)12-6-7-14-15(8-12)25-17(21)19-14/h2-9,20H,1H3,(H,19,21)
InChIKeyYGUBIDQLKJGPAB-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.59
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110402478) has the molecular formula C17H13N3O6S and a molecular weight of 387.37 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110402478
Molecular FormulaC17H13N3O6S
Molecular Weight387.37 g/mol
Exact Mass387.05
IUPAC NameN-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C17H13N3O6S/c1-24-11-4-2-10(3-5-11)13-9-18-26-16(13)20-27(22,23)12-6-7-14-15(8-12)25-17(21)19-14/h2-9,20H,1H3,(H,19,21)
InChIKeyYGUBIDQLKJGPAB-UHFFFAOYSA-N
XLogP2.59
TPSA127.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108781093
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648158
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 110402463
4-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,5-dimethylbenzenesulfonamide
CID 110402462
3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
CID 110402595
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
CID 110402451
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110402478) is N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is COc1ccc(-c2cnoc2NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is YGUBIDQLKJGPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O6S/c1-24-11-4-2-10(3-5-11)13-9-18-26-16(13)20-27(22,23)12-6-7-14-15(8-12)25-17(21)19-14/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 387.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110402478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).