5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide

C11H9BrN2O3S — CID 11461623

IUPAC5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CSc2cccc(Br)c2)on1
InChIInChI=1S/C11H9BrN2O3S/c12-7-2-1-3-9(4-7)18-6-8-5-10(14-17-8)11(15)13-16/h1-5,16H,6H2,(H,13,15)
InChIKeyISUKKPOOMNPCBV-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.85
Rot. Bonds4

About 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide

5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide (PubChem CID 11461623) has the molecular formula C11H9BrN2O3S and a molecular weight of 329.18 g/mol. Its IUPAC name is 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
PubChem CID11461623
Molecular FormulaC11H9BrN2O3S
Molecular Weight329.18 g/mol
Exact Mass327.95
IUPAC Name5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NO)c1cc(CSc2cccc(Br)c2)on1
InChIInChI=1S/C11H9BrN2O3S/c12-7-2-1-3-9(4-7)18-6-8-5-10(14-17-8)11(15)13-16/h1-5,16H,6H2,(H,13,15)
InChIKeyISUKKPOOMNPCBV-UHFFFAOYSA-N
XLogP2.85
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide (CID 11461623) is 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide is O=C(NO)c1cc(CSc2cccc(Br)c2)on1.
What is the InChIKey of 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The InChIKey is ISUKKPOOMNPCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S/c12-7-2-1-3-9(4-7)18-6-8-5-10(14-17-8)11(15)13-16/h1-5,16H,6H2,(H,13,15).
What are the key properties of 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)sulfanylmethyl]-N-hydroxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11461623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).