4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol

C22H17ClN2O2 — CID 3972627

IUPAC4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc2c1
InChIInChI=1S/C22H17ClN2O2/c1-2-14-5-10-21-19(11-14)25-22(27-21)18-12-17(8-9-20(18)26)24-13-15-3-6-16(23)7-4-15/h3-13,26H,2H2,1H3/b24-13+
InChIKeyQFTPAFMPMVOUFJ-ZMOGYAJESA-N
MW376.84 g/mol
LogP6.17
Rot. Bonds4

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

4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 3972627) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
PubChem CID3972627
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc2c1
InChIInChI=1S/C22H17ClN2O2/c1-2-14-5-10-21-19(11-14)25-22(27-21)18-12-17(8-9-20(18)26)24-13-15-3-6-16(23)7-4-15/h3-13,26H,2H2,1H3/b24-13+
InChIKeyQFTPAFMPMVOUFJ-ZMOGYAJESA-N
XLogP6.17
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.17
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 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol (CID 3972627) is 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol is CCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc2c1.
What is the InChIKey of 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is QFTPAFMPMVOUFJ-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-2-14-5-10-21-19(11-14)25-22(27-21)18-12-17(8-9-20(18)26)24-13-15-3-6-16(23)7-4-15/h3-13,26H,2H2,1H3/b24-13+.
What are the key properties of 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 376.84 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylideneamino]-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 3972627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).