N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide

C18H17N3O6S — CID 22505629

IUPACN-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NO)oc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H17N3O6S/c1-26-13-6-2-11(3-7-13)17-18(27-16(20-17)10-15(22)21-23)12-4-8-14(9-5-12)28(19,24)25/h2-9,23H,10H2,1H3,(H,21,22)(H2,19,24,25)
InChIKeyGMXDTPABMNNSOO-UHFFFAOYSA-N
MW403.42 g/mol
LogP1.71
Rot. Bonds6

About N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide

N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide (PubChem CID 22505629) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
PubChem CID22505629
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC NameN-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NO)oc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H17N3O6S/c1-26-13-6-2-11(3-7-13)17-18(27-16(20-17)10-15(22)21-23)12-4-8-14(9-5-12)28(19,24)25/h2-9,23H,10H2,1H3,(H,21,22)(H2,19,24,25)
InChIKeyGMXDTPABMNNSOO-UHFFFAOYSA-N
XLogP1.71
TPSA144.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide?
The IUPAC name of N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide (CID 22505629) is N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide is COc1ccc(-c2nc(CC(=O)NO)oc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide?
The InChIKey is GMXDTPABMNNSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c1-26-13-6-2-11(3-7-13)17-18(27-16(20-17)10-15(22)21-23)12-4-8-14(9-5-12)28(19,24)25/h2-9,23H,10H2,1H3,(H,21,22)(H2,19,24,25).
What are the key properties of N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide?
N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide has a molecular weight of 403.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide is sourced from PubChem (CID 22505629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).