2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide

C12H15N3O5S — CID 30713545

IUPAC2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C12H15N3O5S/c1-7(2)11(16)13-14-21(18,19)8-4-5-9-10(6-8)20-12(17)15(9)3/h4-7,14H,1-3H3,(H,13,16)
InChIKeyJPQLZVBKRDSPJX-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.10
Rot. Bonds4

About 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide

2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide (PubChem CID 30713545) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
PubChem CID30713545
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C12H15N3O5S/c1-7(2)11(16)13-14-21(18,19)8-4-5-9-10(6-8)20-12(17)15(9)3/h4-7,14H,1-3H3,(H,13,16)
InChIKeyJPQLZVBKRDSPJX-UHFFFAOYSA-N
XLogP0.10
TPSA110.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 55558560
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
3,4,5-triethoxy-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 30782171
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
3-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 110347522
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 30782322
(2R)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(4-propan-2-ylphenyl)butanamide
CID 92665536
3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid
CID 154582026
3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110347824
4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(3-methylphenyl)pentanamide
CID 6622401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide?
The IUPAC name of 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide (CID 30713545) is 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide.
What is the SMILES notation for 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide?
The canonical SMILES for 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide is CC(C)C(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide?
The InChIKey is JPQLZVBKRDSPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-7(2)11(16)13-14-21(18,19)8-4-5-9-10(6-8)20-12(17)15(9)3/h4-7,14H,1-3H3,(H,13,16).
What are the key properties of 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide?
2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide has a molecular weight of 313.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide is sourced from PubChem (CID 30713545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).