2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide

C19H18N4O5 — CID 127244203

IUPAC2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1nonc1C
InChIInChI=1S/C19H18N4O5/c1-12-15(23-28-22-12)11-27-17-8-7-13(9-18(17)26-2)10-20-21-19(25)14-5-3-4-6-16(14)24/h3-10,24H,11H2,1-2H3,(H,21,25)/b20-10+
InChIKeyDNPOKZZBHCNGEB-KEBDBYFISA-N
MW382.38 g/mol
LogP2.44
Rot. Bonds7

About 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide

2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 127244203) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID127244203
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1nonc1C
InChIInChI=1S/C19H18N4O5/c1-12-15(23-28-22-12)11-27-17-8-7-13(9-18(17)26-2)10-20-21-19(25)14-5-3-4-6-16(14)24/h3-10,24H,11H2,1-2H3,(H,21,25)/b20-10+
InChIKeyDNPOKZZBHCNGEB-KEBDBYFISA-N
XLogP2.44
TPSA119.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
2,5-dihydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 17126913
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]-1-methylbenzimidazol-2-amine
CID 127244194
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-[(E)-[3-ethoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 127244219
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
CID 6255411
2,4-dihydroxy-N-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4230907
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide (CID 127244203) is 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide is COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1nonc1C.
What is the InChIKey of 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is DNPOKZZBHCNGEB-KEBDBYFISA-N. The full InChI is InChI=1S/C19H18N4O5/c1-12-15(23-28-22-12)11-27-17-8-7-13(9-18(17)26-2)10-20-21-19(25)14-5-3-4-6-16(14)24/h3-10,24H,11H2,1-2H3,(H,21,25)/b20-10+.
What are the key properties of 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide?
2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 382.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 127244203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).