2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

C21H30N2O5 — CID 45228007

IUPAC2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCCOC1CCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1
InChIInChI=1S/C21H30N2O5/c1-15-19(14-23-9-7-16(8-10-23)27-12-11-24-2)22-21(28-15)18-6-5-17(25-3)13-20(18)26-4/h5-6,13,16H,7-12,14H2,1-4H3
InChIKeyGOIRTZWZCLTNPQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.29
Rot. Bonds9

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

2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 45228007) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID45228007
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOCCOC1CCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1
InChIInChI=1S/C21H30N2O5/c1-15-19(14-23-9-7-16(8-10-23)27-12-11-24-2)22-21(28-15)18-6-5-17(25-3)13-20(18)26-4/h5-6,13,16H,7-12,14H2,1-4H3
InChIKeyGOIRTZWZCLTNPQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 45228007) is 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COCCOC1CCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is GOIRTZWZCLTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-15-19(14-23-9-7-16(8-10-23)27-12-11-24-2)22-21(28-15)18-6-5-17(25-3)13-20(18)26-4/h5-6,13,16H,7-12,14H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 390.48 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 45228007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).