1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine

C22H18N2O2 — CID 835095

IUPAC1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C22H18N2O2/c1-2-25-19-11-8-16(9-12-19)15-23-18-10-13-21-20(14-18)24-22(26-21)17-6-4-3-5-7-17/h3-15H,2H2,1H3/b23-15+
InChIKeyPWFDZLHOGRCMTG-HZHRSRAPSA-N
MW342.40 g/mol
LogP5.64
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine

1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine (PubChem CID 835095) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
PubChem CID835095
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C22H18N2O2/c1-2-25-19-11-8-16(9-12-19)15-23-18-10-13-21-20(14-18)24-22(26-21)17-6-4-3-5-7-17/h3-15H,2H2,1H3/b23-15+
InChIKeyPWFDZLHOGRCMTG-HZHRSRAPSA-N
XLogP5.64
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 4550659
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 3499921
1-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4193648
[4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 2,4-dichlorobenzoate
CID 3098512
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine
CID 555899
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 171978605
[4-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 2-chlorobenzoate
CID 3095618
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 102448915
[4-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 2-chlorobenzoate
CID 4669917
2-(1,3-benzoxazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 135887727
N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine
CID 2311839

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine (CID 835095) is 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine is CCOc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine?
The InChIKey is PWFDZLHOGRCMTG-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-25-19-11-8-16(9-12-19)15-23-18-10-13-21-20(14-18)24-22(26-21)17-6-4-3-5-7-17/h3-15H,2H2,1H3/b23-15+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine?
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine has a molecular weight of 342.40 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine is sourced from PubChem (CID 835095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).