4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

C21H14Cl2N2O2 — CID 4002391

IUPAC4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc2c1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-2-7-20-18(8-12)25-21(27-20)15-10-14(4-6-19(15)26)24-11-13-3-5-16(22)17(23)9-13/h2-11,26H,1H3/b24-11+
InChIKeyHSUIAQJGZUEJTJ-BHGWPJFGSA-N
MW397.26 g/mol
LogP6.57
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 4002391) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
PubChem CID4002391
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc2c1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-2-7-20-18(8-12)25-21(27-20)15-10-14(4-6-19(15)26)24-11-13-3-5-16(22)17(23)9-13/h2-11,26H,1H3/b24-11+
InChIKeyHSUIAQJGZUEJTJ-BHGWPJFGSA-N
XLogP6.57
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-methylphenol
CID 135556340
4-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
CID 171978597
4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 3972627
1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
CID 3978136
(2,5-dichlorophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate
CID 3584207
1-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4193648
4-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol
CID 135779414
2-bromo-4-chloro-6-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-3,5-dimethylphenol
CID 171980803
5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol
CID 5185978
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 171979302

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol (CID 4002391) is 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol is Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc2c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is HSUIAQJGZUEJTJ-BHGWPJFGSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c1-12-2-7-20-18(8-12)25-21(27-20)15-10-14(4-6-19(15)26)24-11-13-3-5-16(22)17(23)9-13/h2-11,26H,1H3/b24-11+.
What are the key properties of 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol?
4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 397.26 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 4002391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).