N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide

C22H19N3O3 — CID 51188956

IUPACN'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide
SMILESO=C1COc2cc(C(=O)NN(Cc3ccccc3)c3ccccc3)ccc2N1
InChIInChI=1S/C22H19N3O3/c26-21-15-28-20-13-17(11-12-19(20)23-21)22(27)24-25(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,26)(H,24,27)
InChIKeyLUBYLOOXGDRHJZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.37
Rot. Bonds5

About N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide

N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide (PubChem CID 51188956) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide.

Molecular Properties

Compound NameN'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide
PubChem CID51188956
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide
SMILESO=C1COc2cc(C(=O)NN(Cc3ccccc3)c3ccccc3)ccc2N1
InChIInChI=1S/C22H19N3O3/c26-21-15-28-20-13-17(11-12-19(20)23-21)22(27)24-25(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,26)(H,24,27)
InChIKeyLUBYLOOXGDRHJZ-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 37429056
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39982310
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55372147
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115643325
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27708277

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide?
The IUPAC name of N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide (CID 51188956) is N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide.
What is the SMILES notation for N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide?
The canonical SMILES for N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide is O=C1COc2cc(C(=O)NN(Cc3ccccc3)c3ccccc3)ccc2N1.
What is the InChIKey of N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide?
The InChIKey is LUBYLOOXGDRHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21-15-28-20-13-17(11-12-19(20)23-21)22(27)24-25(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,26)(H,24,27).
What are the key properties of N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide?
N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide has a molecular weight of 373.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3-oxo-N'-phenyl-4H-1,4-benzoxazine-7-carbohydrazide is sourced from PubChem (CID 51188956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).