4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole

C23H26N2O3 — CID 59486782

IUPAC4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(C3(C)CCNCC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N2O3/c1-23(12-14-24-15-13-23)22-25-20(16-4-8-18(26-2)9-5-16)21(28-22)17-6-10-19(27-3)11-7-17/h4-11,24H,12-15H2,1-3H3
InChIKeyJEYAPNPUNYFYOR-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.67
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole

4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole (PubChem CID 59486782) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole
PubChem CID59486782
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(C3(C)CCNCC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N2O3/c1-23(12-14-24-15-13-23)22-25-20(16-4-8-18(26-2)9-5-16)21(28-22)17-6-10-19(27-3)11-7-17/h4-11,24H,12-15H2,1-3H3
InChIKeyJEYAPNPUNYFYOR-UHFFFAOYSA-N
XLogP4.67
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole 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 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole (CID 59486782) is 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole is COc1ccc(-c2nc(C3(C)CCNCC3)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole?
The InChIKey is JEYAPNPUNYFYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-23(12-14-24-15-13-23)22-25-20(16-4-8-18(26-2)9-5-16)21(28-22)17-6-10-19(27-3)11-7-17/h4-11,24H,12-15H2,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole?
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole has a molecular weight of 378.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(4-methylpiperidin-4-yl)-1,3-oxazole is sourced from PubChem (CID 59486782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).