2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide

C18H29N3O4 — CID 53151092

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C18H29N3O4/c1-13-16(14(2)25-19-13)11-17(22)20(3)12-18(23)21-8-5-15(6-9-21)7-10-24-4/h15H,5-12H2,1-4H3
InChIKeyRDKMXYBERDSOCL-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.57
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide (PubChem CID 53151092) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide
PubChem CID53151092
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide
SMILESCOCCC1CCN(C(=O)CN(C)C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C18H29N3O4/c1-13-16(14(2)25-19-13)11-17(22)20(3)12-18(23)21-8-5-15(6-9-21)7-10-24-4/h15H,5-12H2,1-4H3
InChIKeyRDKMXYBERDSOCL-UHFFFAOYSA-N
XLogP1.57
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide (CID 53151092) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide is COCCC1CCN(C(=O)CN(C)C(=O)Cc2c(C)noc2C)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
The InChIKey is RDKMXYBERDSOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-13-16(14(2)25-19-13)11-17(22)20(3)12-18(23)21-8-5-15(6-9-21)7-10-24-4/h15H,5-12H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide has a molecular weight of 351.45 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 53151092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).