N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide

C12H12N2O5S — CID 11231744

IUPACN-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Cc2cc(C(=O)NO)no2)cc1
InChIInChI=1S/C12H12N2O5S/c1-8-2-4-10(5-3-8)20(17,18)7-9-6-11(14-19-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15)
InChIKeyCOIIIDKYHRRRPA-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.08
Rot. Bonds4

About N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide

N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 11231744) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID11231744
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC NameN-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Cc2cc(C(=O)NO)no2)cc1
InChIInChI=1S/C12H12N2O5S/c1-8-2-4-10(5-3-8)20(17,18)7-9-6-11(14-19-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15)
InChIKeyCOIIIDKYHRRRPA-UHFFFAOYSA-N
XLogP1.08
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide (CID 11231744) is N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(S(=O)(=O)Cc2cc(C(=O)NO)no2)cc1.
What is the InChIKey of N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is COIIIDKYHRRRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-8-2-4-10(5-3-8)20(17,18)7-9-6-11(14-19-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11231744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).