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

C24H22N2O3 — CID 1206273

IUPAC2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O
InChIInChI=1S/C24H22N2O3/c1-4-28-21-7-5-6-18(23(21)27)14-25-20-13-17(10-9-16(20)3)24-26-19-11-8-15(2)12-22(19)29-24/h5-14,27H,4H2,1-3H3/b25-14+
InChIKeyOOMBROPYBDJFCQ-AFUMVMLFSA-N
MW386.45 g/mol
LogP5.97
Rot. Bonds5

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

2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 1206273) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID1206273
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O
InChIInChI=1S/C24H22N2O3/c1-4-28-21-7-5-6-18(23(21)27)14-25-20-13-17(10-9-16(20)3)24-26-19-11-8-15(2)12-22(19)29-24/h5-14,27H,4H2,1-3H3/b25-14+
InChIKeyOOMBROPYBDJFCQ-AFUMVMLFSA-N
XLogP5.97
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.97
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

2-Methyl-5-(6-methyl-1,3-benzoxazol-2-YL)aniline
CID 721052
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 774880
2-(4-ethylphenoxy)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 15987516
1-{[2-(3-Methoxyphenyl)-1,3-benzoxazol-6-yl]carbonyl}-3-piperidinol
CID 24790878
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 153526158
(6E)-6-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one
CID 646879
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 653288
N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
CID 1215944
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 1296394
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenylacetamide
CID 1332402
2-[[5-(1,3-Benzoxazol-2-yl)-2-methylanilino]methyl]-4-benzylphenol
CID 5073170
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 16029663

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 1206273) is 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is CCOc1cccc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O.
What is the InChIKey of 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is OOMBROPYBDJFCQ-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-4-28-21-7-5-6-18(23(21)27)14-25-20-13-17(10-9-16(20)3)24-26-19-11-8-15(2)12-22(19)29-24/h5-14,27H,4H2,1-3H3/b25-14+.
What are the key properties of 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 386.45 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 1206273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).