N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C22H19N3O6 — CID 18120641

IUPACN'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CN1C(=O)COc2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H19N3O6/c26-20(12-25-17-8-4-5-9-18(17)30-14-21(25)27)23-24-22(28)19-11-10-16(31-19)13-29-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,26)(H,24,28)
InChIKeyNLGWLEILNANPPF-UHFFFAOYSA-N
MW421.41 g/mol
LogP2.05
Rot. Bonds6

About N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 18120641) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID18120641
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC NameN'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CN1C(=O)COc2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C22H19N3O6/c26-20(12-25-17-8-4-5-9-18(17)30-14-21(25)27)23-24-22(28)19-11-10-16(31-19)13-29-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,26)(H,24,28)
InChIKeyNLGWLEILNANPPF-UHFFFAOYSA-N
XLogP2.05
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837670
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
N'-[2-(4-ethoxyphenyl)sulfanylacetyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 9429427
2-[4-[2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255406
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24607659
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
3-cyano-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]benzohydrazide
CID 9237521
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786181

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 18120641) is N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(CN1C(=O)COc2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is NLGWLEILNANPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c26-20(12-25-17-8-4-5-9-18(17)30-14-21(25)27)23-24-22(28)19-11-10-16(31-19)13-29-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,23,26)(H,24,28).
What are the key properties of N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 421.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 18120641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).