5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol

C21H14Cl2N2O2 — CID 5185978

IUPAC5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4Cl)cc3O)oc2c1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-2-7-18-20(8-12)27-21(25-18)16-5-4-15(10-19(16)26)24-11-13-9-14(22)3-6-17(13)23/h2-11,26H,1H3/b24-11+
InChIKeyWEPMZEZWKKFKAN-BHGWPJFGSA-N
MW397.26 g/mol
LogP6.57
Rot. Bonds3

About 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol

5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 5185978) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol
PubChem CID5185978
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4Cl)cc3O)oc2c1
InChIInChI=1S/C21H14Cl2N2O2/c1-12-2-7-18-20(8-12)27-21(25-18)16-5-4-15(10-19(16)26)24-11-13-9-14(22)3-6-17(13)23/h2-11,26H,1H3/b24-11+
InChIKeyWEPMZEZWKKFKAN-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol (CID 5185978) is 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol is Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4Cl)cc3O)oc2c1.
What is the InChIKey of 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is WEPMZEZWKKFKAN-BHGWPJFGSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c1-12-2-7-18-20(8-12)27-21(25-18)16-5-4-15(10-19(16)26)24-11-13-9-14(22)3-6-17(13)23/h2-11,26H,1H3/b24-11+.
What are the key properties of 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol?
5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-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 5-[(2,5-dichlorophenyl)methylideneamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 5185978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).