N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

C10H10N2O3S — CID 177370191

IUPACN-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2oc(SCC(=O)NO)nc2c1
InChIInChI=1S/C10H10N2O3S/c1-6-2-3-8-7(4-6)11-10(15-8)16-5-9(13)12-14/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyFTKPFHAZVIVXLC-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.73
Rot. Bonds3

About N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 177370191) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
PubChem CID177370191
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC NameN-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2oc(SCC(=O)NO)nc2c1
InChIInChI=1S/C10H10N2O3S/c1-6-2-3-8-7(4-6)11-10(15-8)16-5-9(13)12-14/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyFTKPFHAZVIVXLC-UHFFFAOYSA-N
XLogP1.73
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.73
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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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 177310506
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4669655
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-hydroxy-5-methylphenyl)ethanone
CID 5012767
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,5-dimethylphenyl)sulfanylacetohydrazide
CID 9471446
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359438
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-propylacetamide
CID 17422877
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9432141
N-(2-chloro-4-methylphenyl)-2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2340845
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 4600571
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone
CID 23854750
N-ethoxy-5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 4039834

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 177370191) is N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is Cc1ccc2oc(SCC(=O)NO)nc2c1.
What is the InChIKey of N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
The InChIKey is FTKPFHAZVIVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-6-2-3-8-7(4-6)11-10(15-8)16-5-9(13)12-14/h2-4,14H,5H2,1H3,(H,12,13).
What are the key properties of N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?
N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 238.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 177370191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).