(4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one

C23H20N2O2 — CID 155172246

IUPAC(4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one
SMILESCC(C)(C)c1ccc(C2=N/C(=C/c3ccnc4ccccc34)C(=O)O2)cc1
InChIInChI=1S/C23H20N2O2/c1-23(2,3)17-10-8-15(9-11-17)21-25-20(22(26)27-21)14-16-12-13-24-19-7-5-4-6-18(16)19/h4-14H,1-3H3/b20-14+
InChIKeyVYEYWCXVJWYJKO-XSFVSMFZSA-N
MW356.43 g/mol
LogP4.88
Rot. Bonds2

About (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one

(4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 155172246) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one
PubChem CID155172246
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one
SMILESCC(C)(C)c1ccc(C2=N/C(=C/c3ccnc4ccccc34)C(=O)O2)cc1
InChIInChI=1S/C23H20N2O2/c1-23(2,3)17-10-8-15(9-11-17)21-25-20(22(26)27-21)14-16-12-13-24-19-7-5-4-6-18(16)19/h4-14H,1-3H3/b20-14+
InChIKeyVYEYWCXVJWYJKO-XSFVSMFZSA-N
XLogP4.88
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one 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 (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one (CID 155172246) is (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one is CC(C)(C)c1ccc(C2=N/C(=C/c3ccnc4ccccc34)C(=O)O2)cc1.
What is the InChIKey of (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is VYEYWCXVJWYJKO-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-23(2,3)17-10-8-15(9-11-17)21-25-20(22(26)27-21)14-16-12-13-24-19-7-5-4-6-18(16)19/h4-14H,1-3H3/b20-14+.
What are the key properties of (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one?
(4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 356.43 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-tert-butylphenyl)-4-(quinolin-4-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 155172246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).