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

C22H18N2O3 — CID 1125902

IUPAC2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol
SMILESCCc1ccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3O)nc2c1
InChIInChI=1S/C22H18N2O3/c1-2-14-7-10-21-18(11-14)24-22(27-21)17-12-16(8-9-20(17)26)23-13-15-5-3-4-6-19(15)25/h3-13,25-26H,2H2,1H3/b23-13+
InChIKeyJXDPSODTBHVVLC-YDZHTSKRSA-N
MW358.40 g/mol
LogP5.22
Rot. Bonds4

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

2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol (PubChem CID 1125902) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol
PubChem CID1125902
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol
SMILESCCc1ccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3O)nc2c1
InChIInChI=1S/C22H18N2O3/c1-2-14-7-10-21-18(11-14)24-22(27-21)17-12-16(8-9-20(17)26)23-13-15-5-3-4-6-19(15)25/h3-13,25-26H,2H2,1H3/b23-13+
InChIKeyJXDPSODTBHVVLC-YDZHTSKRSA-N
XLogP5.22
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol?
The IUPAC name of 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol (CID 1125902) is 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol?
The canonical SMILES for 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol is CCc1ccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3O)nc2c1.
What is the InChIKey of 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol?
The InChIKey is JXDPSODTBHVVLC-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-2-14-7-10-21-18(11-14)24-22(27-21)17-12-16(8-9-20(17)26)23-13-15-5-3-4-6-19(15)25/h3-13,25-26H,2H2,1H3/b23-13+.
What are the key properties of 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol?
2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol has a molecular weight of 358.40 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-benzoxazol-2-yl)-4-[(2-hydroxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 1125902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).