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

C22H23N3O6 — CID 24978794

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C22H23N3O6/c1-14-19(15(2)31-25-14)12-30-20-7-5-4-6-18(20)22(27)24-23-21(26)13-29-17-10-8-16(28-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRKMUUEFOWFBGHE-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.72
Rot. Bonds8

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide (PubChem CID 24978794) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
PubChem CID24978794
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C22H23N3O6/c1-14-19(15(2)31-25-14)12-30-20-7-5-4-6-18(20)22(27)24-23-21(26)13-29-17-10-8-16(28-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRKMUUEFOWFBGHE-UHFFFAOYSA-N
XLogP2.72
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide (CID 24978794) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide is COc1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is RKMUUEFOWFBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-14-19(15(2)31-25-14)12-30-20-7-5-4-6-18(20)22(27)24-23-21(26)13-29-17-10-8-16(28-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 425.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 24978794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).