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

C20H19N3O5 — CID 7535133

IUPACN'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide
SMILESCc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C20H19N3O5/c1-12-17(13(2)28-23-12)11-27-15-9-7-14(8-10-15)19(25)21-22-20(26)16-5-3-4-6-18(16)24/h3-10,24H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWUWMDQIBACUYHQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.65
Rot. Bonds5

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

N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide (PubChem CID 7535133) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide
PubChem CID7535133
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide
SMILESCc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C20H19N3O5/c1-12-17(13(2)28-23-12)11-27-15-9-7-14(8-10-15)19(25)21-22-20(26)16-5-3-4-6-18(16)24/h3-10,24H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWUWMDQIBACUYHQ-UHFFFAOYSA-N
XLogP2.65
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide (CID 7535133) is N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide is Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide?
The InChIKey is WUWMDQIBACUYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-12-17(13(2)28-23-12)11-27-15-9-7-14(8-10-15)19(25)21-22-20(26)16-5-3-4-6-18(16)24/h3-10,24H,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide?
N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide has a molecular weight of 381.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 7535133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).