4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide

C25H32N4O4 — CID 140933955

IUPAC4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
SMILESCOCCOC1C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C25H32N4O4/c1-25(2)23(32-16-15-31-3)22(28-33-25)18-9-11-19(12-10-18)24(30)29(20-7-6-13-26-17-20)21-8-4-5-14-27-21/h4-5,8-12,14,20,23,26H,6-7,13,15-17H2,1-3H3
InChIKeyWYKXSLGEOPPTPT-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.02
Rot. Bonds8

About 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide

4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide (PubChem CID 140933955) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
PubChem CID140933955
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
SMILESCOCCOC1C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C25H32N4O4/c1-25(2)23(32-16-15-31-3)22(28-33-25)18-9-11-19(12-10-18)24(30)29(20-7-6-13-26-17-20)21-8-4-5-14-27-21/h4-5,8-12,14,20,23,26H,6-7,13,15-17H2,1-3H3
InChIKeyWYKXSLGEOPPTPT-UHFFFAOYSA-N
XLogP3.02
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
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 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide (CID 140933955) is 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide is COCCOC1C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)=NOC1(C)C.
What is the InChIKey of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The InChIKey is WYKXSLGEOPPTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-25(2)23(32-16-15-31-3)22(28-33-25)18-9-11-19(12-10-18)24(30)29(20-7-6-13-26-17-20)21-8-4-5-14-27-21/h4-5,8-12,14,20,23,26H,6-7,13,15-17H2,1-3H3.
What are the key properties of 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 140933955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).