4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide

C25H29N3O5S — CID 43045495

IUPAC4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2c(C)noc2C)cc1OC
InChIInChI=1S/C25H29N3O5S/c1-5-6-13-32-21-12-11-18(14-22(21)31-4)24(29)26-27-25(30)19-9-7-8-10-23(19)34-15-20-16(2)28-33-17(20)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyZVQLXWBGERMAMP-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.85
Rot. Bonds10

About 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide

4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide (PubChem CID 43045495) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide
PubChem CID43045495
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2c(C)noc2C)cc1OC
InChIInChI=1S/C25H29N3O5S/c1-5-6-13-32-21-12-11-18(14-22(21)31-4)24(29)26-27-25(30)19-9-7-8-10-23(19)34-15-20-16(2)28-33-17(20)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyZVQLXWBGERMAMP-UHFFFAOYSA-N
XLogP4.85
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 29403518
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814232
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
dimethyl 5-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345944
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide (CID 43045495) is 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2c(C)noc2C)cc1OC.
What is the InChIKey of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide?
The InChIKey is ZVQLXWBGERMAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-5-6-13-32-21-12-11-18(14-22(21)31-4)24(29)26-27-25(30)19-9-7-8-10-23(19)34-15-20-16(2)28-33-17(20)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide?
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide has a molecular weight of 483.59 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 43045495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).