2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide

C21H21N3O4 — CID 25163581

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C21H21N3O4/c1-13-8-10-16(11-9-13)20(25)22-23-21(26)17-6-4-5-7-19(17)27-12-18-14(2)24-28-15(18)3/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQHIUYJINCAIYLE-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.25
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 25163581) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID25163581
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C21H21N3O4/c1-13-8-10-16(11-9-13)20(25)22-23-21(26)17-6-4-5-7-19(17)27-12-18-14(2)24-28-15(18)3/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyQHIUYJINCAIYLE-UHFFFAOYSA-N
XLogP3.25
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide (CID 25163581) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is QHIUYJINCAIYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-8-10-16(11-9-13)20(25)22-23-21(26)17-6-4-5-7-19(17)27-12-18-14(2)24-28-15(18)3/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 379.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 25163581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).