4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide

C18H25N3O3 — CID 5271196

IUPAC4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide
SMILESCc1cc(CCCCCCCOc2ccc(C(=O)NN)cc2)on1
InChIInChI=1S/C18H25N3O3/c1-14-13-17(24-21-14)7-5-3-2-4-6-12-23-16-10-8-15(9-11-16)18(22)20-19/h8-11,13H,2-7,12,19H2,1H3,(H,20,22)
InChIKeyTZWWSBSEYWLMKA-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.16
Rot. Bonds10

About 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide

4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide (PubChem CID 5271196) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide.

Molecular Properties

Compound Name4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide
PubChem CID5271196
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide
SMILESCc1cc(CCCCCCCOc2ccc(C(=O)NN)cc2)on1
InChIInChI=1S/C18H25N3O3/c1-14-13-17(24-21-14)7-5-3-2-4-6-12-23-16-10-8-15(9-11-16)18(22)20-19/h8-11,13H,2-7,12,19H2,1H3,(H,20,22)
InChIKeyTZWWSBSEYWLMKA-UHFFFAOYSA-N
XLogP3.16
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide?
The IUPAC name of 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide (CID 5271196) is 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide.
What is the SMILES notation for 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide?
The canonical SMILES for 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide is Cc1cc(CCCCCCCOc2ccc(C(=O)NN)cc2)on1.
What is the InChIKey of 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide?
The InChIKey is TZWWSBSEYWLMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14-13-17(24-21-14)7-5-3-2-4-6-12-23-16-10-8-15(9-11-16)18(22)20-19/h8-11,13H,2-7,12,19H2,1H3,(H,20,22).
What are the key properties of 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide?
4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide has a molecular weight of 331.42 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzohydrazide is sourced from PubChem (CID 5271196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).