N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide

C18H25N3O5S — CID 8617635

IUPACN'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H25N3O5S/c1-4-5-6-7-12-25-16-10-8-15(9-11-16)18(22)19-21-27(23,24)17-13(2)20-26-14(17)3/h8-11,21H,4-7,12H2,1-3H3,(H,19,22)
InChIKeyISFKOUUZGKIQKN-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.87
Rot. Bonds10

About N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide

N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide (PubChem CID 8617635) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
PubChem CID8617635
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H25N3O5S/c1-4-5-6-7-12-25-16-10-8-15(9-11-16)18(22)19-21-27(23,24)17-13(2)20-26-14(17)3/h8-11,21H,4-7,12H2,1-3H3,(H,19,22)
InChIKeyISFKOUUZGKIQKN-UHFFFAOYSA-N
XLogP2.87
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
4-heptoxy-N-methylbenzamide
CID 3291691
N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
CID 17012565
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
CID 100564276
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
CID 42988184
4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
CID 136754074
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
4-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4934576

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide (CID 8617635) is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide?
The InChIKey is ISFKOUUZGKIQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-4-5-6-7-12-25-16-10-8-15(9-11-16)18(22)19-21-27(23,24)17-13(2)20-26-14(17)3/h8-11,21H,4-7,12H2,1-3H3,(H,19,22).
What are the key properties of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide?
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide has a molecular weight of 395.48 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 8617635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).