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

C25H29N3O6 — CID 35781681

IUPAC4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1OC
InChIInChI=1S/C25H29N3O6/c1-5-6-13-32-22-12-11-18(14-23(22)31-4)24(29)26-27-25(30)19-9-7-8-10-21(19)33-15-20-16(2)28-34-17(20)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyQKJLZSOAXRTDQY-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.13
Rot. Bonds10

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

4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide (PubChem CID 35781681) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
PubChem CID35781681
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1OC
InChIInChI=1S/C25H29N3O6/c1-5-6-13-32-22-12-11-18(14-23(22)31-4)24(29)26-27-25(30)19-9-7-8-10-21(19)33-15-20-16(2)28-34-17(20)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyQKJLZSOAXRTDQY-UHFFFAOYSA-N
XLogP4.13
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.13
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)methoxy]benzoyl]-3-methoxybenzohydrazide with MolForge

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Launch Full Analysis

Related Compounds

4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-3-methoxybenzohydrazide
CID 43045495
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 25162867
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30544768
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46433797
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(4-methylphenoxy)butyl]benzamide
CID 55799586
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide (CID 35781681) is 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1OC.
What is the InChIKey of 4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide?
The InChIKey is QKJLZSOAXRTDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-5-6-13-32-22-12-11-18(14-23(22)31-4)24(29)26-27-25(30)19-9-7-8-10-21(19)33-15-20-16(2)28-34-17(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)methoxy]benzoyl]-3-methoxybenzohydrazide?
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide has a molecular weight of 467.52 g/mol, XLogP of 4.13, 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)methoxy]benzoyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 35781681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).