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

C24H23N5O5 — CID 25162007

IUPACN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2c1=O
InChIInChI=1S/C24H23N5O5/c1-4-29-24(32)17-10-6-5-9-16(17)21(27-29)23(31)26-25-22(30)18-11-7-8-12-20(18)33-13-19-14(2)28-34-15(19)3/h5-12H,4,13H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyUPHUZOARYADCLJ-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.68
Rot. Bonds6

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

N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 25162007) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID25162007
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC NameN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2c1=O
InChIInChI=1S/C24H23N5O5/c1-4-29-24(32)17-10-6-5-9-16(17)21(27-29)23(31)26-25-22(30)18-11-7-8-12-20(18)33-13-19-14(2)28-34-15(19)3/h5-12H,4,13H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyUPHUZOARYADCLJ-UHFFFAOYSA-N
XLogP2.68
TPSA128.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 25162007) is N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2c1=O.
What is the InChIKey of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is UPHUZOARYADCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-4-29-24(32)17-10-6-5-9-16(17)21(27-29)23(31)26-25-22(30)18-11-7-8-12-20(18)33-13-19-14(2)28-34-15(19)3/h5-12H,4,13H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 461.48 g/mol, XLogP of 2.68, 6 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-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 25162007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).