3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide

C22H29N3O3 — CID 24790057

IUPAC3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCCc1noc(C)c1C(=O)N1CCC(CCC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C22H29N3O3/c1-4-19-21(16(3)28-24-19)22(27)25-12-10-17(11-13-25)8-9-20(26)23-18-7-5-6-15(2)14-18/h5-7,14,17H,4,8-13H2,1-3H3,(H,23,26)
InChIKeyDAQSJAYAGTXIRZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.12
Rot. Bonds6

About 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide

3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide (PubChem CID 24790057) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide
PubChem CID24790057
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCCc1noc(C)c1C(=O)N1CCC(CCC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C22H29N3O3/c1-4-19-21(16(3)28-24-19)22(27)25-12-10-17(11-13-25)8-9-20(26)23-18-7-5-6-15(2)14-18/h5-7,14,17H,4,8-13H2,1-3H3,(H,23,26)
InChIKeyDAQSJAYAGTXIRZ-UHFFFAOYSA-N
XLogP4.12
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide (CID 24790057) is 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide is CCc1noc(C)c1C(=O)N1CCC(CCC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is DAQSJAYAGTXIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-19-21(16(3)28-24-19)22(27)25-12-10-17(11-13-25)8-9-20(26)23-18-7-5-6-15(2)14-18/h5-7,14,17H,4,8-13H2,1-3H3,(H,23,26).
What are the key properties of 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide?
3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 24790057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).