N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide

C21H16N2O4 — CID 6296213

IUPACN-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
SMILESO=C1Nc2ccccc2O/C1=C\c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H16N2O4/c24-20(22-13-16-4-3-11-26-16)15-9-7-14(8-10-15)12-19-21(25)23-17-5-1-2-6-18(17)27-19/h1-12H,13H2,(H,22,24)(H,23,25)/b19-12-
InChIKeyDSAONRJAIJAQOK-UNOMPAQXSA-N
MW360.37 g/mol
LogP3.58
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide

N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide (PubChem CID 6296213) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
PubChem CID6296213
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
SMILESO=C1Nc2ccccc2O/C1=C\c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H16N2O4/c24-20(22-13-16-4-3-11-26-16)15-9-7-14(8-10-15)12-19-21(25)23-17-5-1-2-6-18(17)27-19/h1-12H,13H2,(H,22,24)(H,23,25)/b19-12-
InChIKeyDSAONRJAIJAQOK-UNOMPAQXSA-N
XLogP3.58
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 46373032
4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide
CID 46373088
4-[(Z)-[4-[(3-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(furan-2-ylmethyl)benzamide
CID 46249925
N-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
CID 4215241
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763960
(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-propyl-4H-1,4-benzoxazine-6-carboxamide
CID 46296534
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide (CID 6296213) is N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide is O=C1Nc2ccccc2O/C1=C\c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide?
The InChIKey is DSAONRJAIJAQOK-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-20(22-13-16-4-3-11-26-16)15-9-7-14(8-10-15)12-19-21(25)23-17-5-1-2-6-18(17)27-19/h1-12H,13H2,(H,22,24)(H,23,25)/b19-12-.
What are the key properties of N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide?
N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide has a molecular weight of 360.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide is sourced from PubChem (CID 6296213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).