2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C17H27N3O3 — CID 71835740

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H27N3O3/c1-11-13(15(21)19(5)6)18-14(23-11)12-7-9-20(10-8-12)16(22)17(2,3)4/h12H,7-10H2,1-6H3
InChIKeyWWDLXOQTODMGIK-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.44
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 71835740) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID71835740
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H27N3O3/c1-11-13(15(21)19(5)6)18-14(23-11)12-7-9-20(10-8-12)16(22)17(2,3)4/h12H,7-10H2,1-6H3
InChIKeyWWDLXOQTODMGIK-UHFFFAOYSA-N
XLogP2.44
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 71835740) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C(=O)N(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is WWDLXOQTODMGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-13(15(21)19(5)6)18-14(23-11)12-7-9-20(10-8-12)16(22)17(2,3)4/h12H,7-10H2,1-6H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71835740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).