2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

C23H25ClN2O3 — CID 42245325

IUPAC2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1
InChIInChI=1S/C23H25ClN2O3/c1-16-20(25-23(28-16)18-7-3-4-8-19(18)24)15-26-13-11-17(12-14-26)29-22-10-6-5-9-21(22)27-2/h3-10,17H,11-15H2,1-2H3
InChIKeyUQGZIFIVJAUSSS-UHFFFAOYSA-N
MW412.92 g/mol
LogP5.36
Rot. Bonds6

About 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42245325) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42245325
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1
InChIInChI=1S/C23H25ClN2O3/c1-16-20(25-23(28-16)18-7-3-4-8-19(18)24)15-26-13-11-17(12-14-26)29-22-10-6-5-9-21(22)27-2/h3-10,17H,11-15H2,1-2H3
InChIKeyUQGZIFIVJAUSSS-UHFFFAOYSA-N
XLogP5.36
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-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 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42245325) is 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is UQGZIFIVJAUSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-20(25-23(28-16)18-7-3-4-8-19(18)24)15-26-13-11-17(12-14-26)29-22-10-6-5-9-21(22)27-2/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 412.92 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42245325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).