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

C23H25N3O7 — CID 25162867

IUPACN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C23H25N3O7/c1-13-17(14(2)33-26-13)12-32-18-9-7-6-8-16(18)23(28)25-24-22(27)15-10-19(29-3)21(31-5)20(11-15)30-4/h6-11H,12H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyHJVKAOMBPGHJRT-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.97
Rot. Bonds8

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

N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 25162867) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID25162867
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC NameN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C23H25N3O7/c1-13-17(14(2)33-26-13)12-32-18-9-7-6-8-16(18)23(28)25-24-22(27)15-10-19(29-3)21(31-5)20(11-15)30-4/h6-11H,12H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyHJVKAOMBPGHJRT-UHFFFAOYSA-N
XLogP2.97
TPSA121.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide (CID 25162867) is N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc(OC)c1OC.
What is the InChIKey of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is HJVKAOMBPGHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-13-17(14(2)33-26-13)12-32-18-9-7-6-8-16(18)23(28)25-24-22(27)15-10-19(29-3)21(31-5)20(11-15)30-4/h6-11H,12H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide?
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 455.47 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 25162867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).