N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide

C13H12N4O3 — CID 6810217

IUPACN-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C1/CCc2nonc2C1)c1ccc(O)cc1
InChIInChI=1S/C13H12N4O3/c18-10-4-1-8(2-5-10)13(19)15-14-9-3-6-11-12(7-9)17-20-16-11/h1-2,4-5,18H,3,6-7H2,(H,15,19)/b14-9-
InChIKeyGXIIKEGZDYCDES-ZROIWOOFSA-N
MW272.26 g/mol
LogP1.05
Rot. Bonds2

About N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide

N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide (PubChem CID 6810217) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide
PubChem CID6810217
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C1/CCc2nonc2C1)c1ccc(O)cc1
InChIInChI=1S/C13H12N4O3/c18-10-4-1-8(2-5-10)13(19)15-14-9-3-6-11-12(7-9)17-20-16-11/h1-2,4-5,18H,3,6-7H2,(H,15,19)/b14-9-
InChIKeyGXIIKEGZDYCDES-ZROIWOOFSA-N
XLogP1.05
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)methylideneamino]benzamide
CID 44582692
4-hydroxy-N-[(E)-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methyleneamino]benzamide
CID 137314822
sodium N-[(E)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide
CID 126465848
4-hydroxy-N-[(Z)-[(5E)-5-hydroxyimino-6,7-dihydro-2,1,3-benzoxadiazol-4-ylidene]amino]benzamide
CID 135599146
4-[(6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino)carbamoyl]phenolate
CID 1380303
N-(6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino)-4-hydroxybenzamide
CID 1380304
N-[(E)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide
CID 5717872
[[4-[(4-Hydroxybenzoyl)hydrazinylidene]-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]amino] acetate
CID 6820576
[(E)-[(4Z)-4-[(4-hydroxybenzoyl)hydrazinylidene]-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]amino] acetate
CID 17388749
sodium 4-[[(E)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]carbamoyl]phenolate
CID 23664074
[(Z)-[(4E)-4-[(4-hydroxybenzoyl)hydrazinylidene]-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]amino] acetate
CID 40522807
4-hydroxy-N-[(E)-[(5E)-5-hydroxyimino-6,7-dihydro-2,1,3-benzoxadiazol-4-ylidene]amino]benzamide
CID 135577447

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide (CID 6810217) is N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide is O=C(N/N=C1/CCc2nonc2C1)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide?
The InChIKey is GXIIKEGZDYCDES-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-10-4-1-8(2-5-10)13(19)15-14-9-3-6-11-12(7-9)17-20-16-11/h1-2,4-5,18H,3,6-7H2,(H,15,19)/b14-9-.
What are the key properties of N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide?
N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide has a molecular weight of 272.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-6,7-dihydro-4H-2,1,3-benzoxadiazol-5-ylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6810217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).