2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol

C14H10N4O4 — CID 137165787

IUPAC2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N\Nc2nc3ccccc3o2)c1
InChIInChI=1S/C14H10N4O4/c19-12-6-5-10(18(20)21)7-9(12)8-15-17-14-16-11-3-1-2-4-13(11)22-14/h1-8,19H,(H,16,17)/b15-8-
InChIKeyHUDANYUQLJWMJN-NVNXTCNLSA-N
MW298.26 g/mol
LogP2.89
Rot. Bonds4

About 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol

2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol (PubChem CID 137165787) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
PubChem CID137165787
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Name2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N\Nc2nc3ccccc3o2)c1
InChIInChI=1S/C14H10N4O4/c19-12-6-5-10(18(20)21)7-9(12)8-15-17-14-16-11-3-1-2-4-13(11)22-14/h1-8,19H,(H,16,17)/b15-8-
InChIKeyHUDANYUQLJWMJN-NVNXTCNLSA-N
XLogP2.89
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707156
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135659003
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 135785158
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol?
The IUPAC name of 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol (CID 137165787) is 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol?
The canonical SMILES for 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N\Nc2nc3ccccc3o2)c1.
What is the InChIKey of 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol?
The InChIKey is HUDANYUQLJWMJN-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H10N4O4/c19-12-6-5-10(18(20)21)7-9(12)8-15-17-14-16-11-3-1-2-4-13(11)22-14/h1-8,19H,(H,16,17)/b15-8-.
What are the key properties of 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol?
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol has a molecular weight of 298.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol is sourced from PubChem (CID 137165787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).