N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide

C11H11N3O4S — CID 166195738

IUPACN'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide
SMILESCc1ocnc1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O4S/c1-8-10(12-7-18-8)11(15)13-14-19(16,17)9-5-3-2-4-6-9/h2-7,14H,1H3,(H,13,15)
InChIKeyRNDVGQPNVYHZRI-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.61
Rot. Bonds4

About N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide

N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide (PubChem CID 166195738) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide
PubChem CID166195738
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide
SMILESCc1ocnc1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O4S/c1-8-10(12-7-18-8)11(15)13-14-19(16,17)9-5-3-2-4-6-9/h2-7,14H,1H3,(H,13,15)
InChIKeyRNDVGQPNVYHZRI-UHFFFAOYSA-N
XLogP0.61
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71969403
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 71969405
N-(2-fluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71985434
N-[3-[cyclopropyl-(3-fluorophenyl)sulfonylamino]propyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 75390496
N-{2-[(4-fluorophenyl)sulfonyl]ethyl}-5-methyl-1,3-oxazole-4-carboxamide
CID 77094070
N-(2-cyano-3-fluorophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
CID 99713946
5-methyl-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)-1,3-oxazole-4-carboxamide
CID 74245279
5-methyl-N-[1-(phenylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 77088289
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476
N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
CID 98688932
N-(4-acetylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807006
5-methyl-N'-phenyl-1,3-oxazole-4-carbohydrazide
CID 137320310

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide (CID 166195738) is N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide is Cc1ocnc1C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
The InChIKey is RNDVGQPNVYHZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-8-10(12-7-18-8)11(15)13-14-19(16,17)9-5-3-2-4-6-9/h2-7,14H,1H3,(H,13,15).
What are the key properties of N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide?
N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide has a molecular weight of 281.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 166195738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).