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

C27H20N2O3 — CID 135887727

IUPAC2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol
SMILESOc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C27H20N2O3/c30-25-16-21(12-15-23(25)27-29-24-8-4-5-9-26(24)32-27)28-17-19-10-13-22(14-11-19)31-18-20-6-2-1-3-7-20/h1-17,30H,18H2/b28-17+
InChIKeyLEIFXYSPVQJROE-OGLMXYFKSA-N
MW420.47 g/mol
LogP6.53
Rot. Bonds6

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

2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol (PubChem CID 135887727) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol
PubChem CID135887727
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol
SMILESOc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C27H20N2O3/c30-25-16-21(12-15-23(25)27-29-24-8-4-5-9-26(24)32-27)28-17-19-10-13-22(14-11-19)31-18-20-6-2-1-3-7-20/h1-17,30H,18H2/b28-17+
InChIKeyLEIFXYSPVQJROE-OGLMXYFKSA-N
XLogP6.53
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 3499921
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 4550659
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
2-(4-bromo-2-phenylmethoxyphenyl)-1,3-benzoxazole
CID 121392545
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
2-(1,3-benzoxazol-2-yl)-5-[[3-bromo-4-(2,4-dinitrophenoxy)phenyl]methylideneamino]phenol
CID 171978854
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 8705502
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol (CID 135887727) is 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol is Oc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol?
The InChIKey is LEIFXYSPVQJROE-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H20N2O3/c30-25-16-21(12-15-23(25)27-29-24-8-4-5-9-26(24)32-27)28-17-19-10-13-22(14-11-19)31-18-20-6-2-1-3-7-20/h1-17,30H,18H2/b28-17+.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol?
2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol has a molecular weight of 420.47 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 135887727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).