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

C12H12N2O3S — CID 11288532

IUPACN-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(SCc2cc(C(=O)NO)no2)cc1
InChIInChI=1S/C12H12N2O3S/c1-8-2-4-10(5-3-8)18-7-9-6-11(14-17-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15)
InChIKeyMCAULNHDCJOBLM-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.39
Rot. Bonds4

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

N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 11288532) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID11288532
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(SCc2cc(C(=O)NO)no2)cc1
InChIInChI=1S/C12H12N2O3S/c1-8-2-4-10(5-3-8)18-7-9-6-11(14-17-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15)
InChIKeyMCAULNHDCJOBLM-UHFFFAOYSA-N
XLogP2.39
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.39
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 N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide (CID 11288532) is N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(SCc2cc(C(=O)NO)no2)cc1.
What is the InChIKey of N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MCAULNHDCJOBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-8-2-4-10(5-3-8)18-7-9-6-11(14-17-9)12(15)13-16/h2-6,16H,7H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide?
N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11288532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).