4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol

C14H11N3O4 — CID 4599440

IUPAC4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2nc3ccccc3o2)c(O)c1O
InChIInChI=1S/C14H11N3O4/c18-10-6-5-8(12(19)13(10)20)7-15-17-14-16-9-3-1-2-4-11(9)21-14/h1-7,18-20H,(H,16,17)
InChIKeyLKTQLPYWEVEFTL-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.39
Rot. Bonds3

About 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol

4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 4599440) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID4599440
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2nc3ccccc3o2)c(O)c1O
InChIInChI=1S/C14H11N3O4/c18-10-6-5-8(12(19)13(10)20)7-15-17-14-16-9-3-1-2-4-11(9)21-14/h1-7,18-20H,(H,16,17)
InChIKeyLKTQLPYWEVEFTL-UHFFFAOYSA-N
XLogP2.39
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6243908
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707158
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6115065
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6164765
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
N-[(Z)-[(3E)-3-(1,3-benzoxazol-2-ylhydrazinylidene)butan-2-ylidene]amino]-1,3-benzoxazol-2-amine
CID 171038353
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707156

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol (CID 4599440) is 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(C=NNc2nc3ccccc3o2)c(O)c1O.
What is the InChIKey of 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is LKTQLPYWEVEFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-10-6-5-8(12(19)13(10)20)7-15-17-14-16-9-3-1-2-4-11(9)21-14/h1-7,18-20H,(H,16,17).
What are the key properties of 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 285.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 4599440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).