4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide

C25H29N3O4 — CID 30593411

IUPAC4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C25H29N3O4/c1-3-4-5-9-16-31-21-14-12-19(13-15-21)24(30)28-27-23(29)17-22-18(2)32-25(26-22)20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFITPBDZCJFTBKM-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.61
Rot. Bonds10

About 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide

4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide (PubChem CID 30593411) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
PubChem CID30593411
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C25H29N3O4/c1-3-4-5-9-16-31-21-14-12-19(13-15-21)24(30)28-27-23(29)17-22-18(2)32-25(26-22)20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyFITPBDZCJFTBKM-UHFFFAOYSA-N
XLogP4.61
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
CID 26012287
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
4-hexoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163669
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide (CID 30593411) is 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
The InChIKey is FITPBDZCJFTBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-4-5-9-16-31-21-14-12-19(13-15-21)24(30)28-27-23(29)17-22-18(2)32-25(26-22)20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide has a molecular weight of 435.52 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 30593411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).