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

C17H28N4O3 — CID 53168446

IUPAC2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)NC(C)(C)C)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H28N4O3/c1-11-13(15(22)20(5)6)18-14(24-11)12-7-9-21(10-8-12)16(23)19-17(2,3)4/h12H,7-10H2,1-6H3,(H,19,23)
InChIKeyMHOYRHZEMYCSFR-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.37
Rot. Bonds2

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

2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53168446) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID53168446
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(C(=O)NC(C)(C)C)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C17H28N4O3/c1-11-13(15(22)20(5)6)18-14(24-11)12-7-9-21(10-8-12)16(23)19-17(2,3)4/h12H,7-10H2,1-6H3,(H,19,23)
InChIKeyMHOYRHZEMYCSFR-UHFFFAOYSA-N
XLogP2.37
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 53168446) is 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(C(=O)NC(C)(C)C)CC2)nc1C(=O)N(C)C.
What is the InChIKey of 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is MHOYRHZEMYCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11-13(15(22)20(5)6)18-14(24-11)12-7-9-21(10-8-12)16(23)19-17(2,3)4/h12H,7-10H2,1-6H3,(H,19,23).
What are the key properties of 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).