N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide

C14H16N2O5S — CID 11324783

IUPACN-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1ccccc1S(=O)(=O)Cc1cc(C(=O)NO)no1
InChIInChI=1S/C14H16N2O5S/c1-9(2)11-5-3-4-6-13(11)22(19,20)8-10-7-12(16-21-10)14(17)15-18/h3-7,9,18H,8H2,1-2H3,(H,15,17)
InChIKeyIFRZIKPNPUDFJE-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.89
Rot. Bonds5

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

N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 11324783) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID11324783
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC NameN-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1ccccc1S(=O)(=O)Cc1cc(C(=O)NO)no1
InChIInChI=1S/C14H16N2O5S/c1-9(2)11-5-3-4-6-13(11)22(19,20)8-10-7-12(16-21-10)14(17)15-18/h3-7,9,18H,8H2,1-2H3,(H,15,17)
InChIKeyIFRZIKPNPUDFJE-UHFFFAOYSA-N
XLogP1.89
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.89
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-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide (CID 11324783) is N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide is CC(C)c1ccccc1S(=O)(=O)Cc1cc(C(=O)NO)no1.
What is the InChIKey of N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IFRZIKPNPUDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-9(2)11-5-3-4-6-13(11)22(19,20)8-10-7-12(16-21-10)14(17)15-18/h3-7,9,18H,8H2,1-2H3,(H,15,17).
What are the key properties of N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(2-propan-2-ylphenyl)sulfonylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11324783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).