2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

C22H18N2O2 — CID 135713338

IUPAC2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc2nc(-c3ccc(C)c(/N=C/c4ccccc4O)c3)oc2c1
InChIInChI=1S/C22H18N2O2/c1-14-7-10-18-21(11-14)26-22(24-18)16-9-8-15(2)19(12-16)23-13-17-5-3-4-6-20(17)25/h3-13,25H,1-2H3/b23-13+
InChIKeyFWPJEINWRDWMHH-YDZHTSKRSA-N
MW342.40 g/mol
LogP5.57
Rot. Bonds3

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

2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 135713338) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID135713338
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc2nc(-c3ccc(C)c(/N=C/c4ccccc4O)c3)oc2c1
InChIInChI=1S/C22H18N2O2/c1-14-7-10-18-21(11-14)26-22(24-18)16-9-8-15(2)19(12-16)23-13-17-5-3-4-6-20(17)25/h3-13,25H,1-2H3/b23-13+
InChIKeyFWPJEINWRDWMHH-YDZHTSKRSA-N
XLogP5.57
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.57
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-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1206273
4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4021463
1-(6-chloro-1,3-benzodioxol-5-yl)-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 1128777
2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3096849
3-(4-chlorophenyl)-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine
CID 2848418
2-[[6-[(2-hydroxyphenyl)methylideneamino]-2,7-dimethylacridin-3-yl]iminomethyl]phenol
CID 136862105
2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4,6-diiodophenol
CID 2840728
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
2-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenol
CID 1243589
2-bromo-4-chloro-6-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4993128
2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-4-bromophenol
CID 135610237
2-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1101456

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 135713338) is 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is Cc1ccc2nc(-c3ccc(C)c(/N=C/c4ccccc4O)c3)oc2c1.
What is the InChIKey of 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is FWPJEINWRDWMHH-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-7-10-18-21(11-14)26-22(24-18)16-9-8-15(2)19(12-16)23-13-17-5-3-4-6-20(17)25/h3-13,25H,1-2H3/b23-13+.
What are the key properties of 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 342.40 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135713338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).