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

C20H19N3O4 — CID 7780024

IUPACN'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
SMILESCc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-18(14(2)27-23-13)12-26-17-10-8-16(9-11-17)20(25)22-21-19(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBCUTZHMAOQKKCG-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.95
Rot. Bonds5

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

N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide (PubChem CID 7780024) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
PubChem CID7780024
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
SMILESCc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-18(14(2)27-23-13)12-26-17-10-8-16(9-11-17)20(25)22-21-19(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBCUTZHMAOQKKCG-UHFFFAOYSA-N
XLogP2.95
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
The IUPAC name of N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide (CID 7780024) is N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide.
What is the SMILES notation for N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
The canonical SMILES for N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide is Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
The InChIKey is BCUTZHMAOQKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-18(14(2)27-23-13)12-26-17-10-8-16(9-11-17)20(25)22-21-19(24)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide?
N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide has a molecular weight of 365.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide is sourced from PubChem (CID 7780024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).