1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide

C14H20N4O2 — CID 725632

IUPAC1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-17-10(8-15)12(20-13)18-6-4-9(5-7-18)11(16)19/h9H,4-7H2,1-3H3,(H2,16,19)
InChIKeyAXLUPHFQYBGZHM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds2

About 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide

1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide (PubChem CID 725632) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
PubChem CID725632
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide
SMILESCC(C)(C)c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-17-10(8-15)12(20-13)18-6-4-9(5-7-18)11(16)19/h9H,4-7H2,1-3H3,(H2,16,19)
InChIKeyAXLUPHFQYBGZHM-UHFFFAOYSA-N
XLogP1.55
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide (CID 725632) is 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide is CC(C)(C)c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
The InChIKey is AXLUPHFQYBGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)13-17-10(8-15)12(20-13)18-6-4-9(5-7-18)11(16)19/h9H,4-7H2,1-3H3,(H2,16,19).
What are the key properties of 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide?
1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-cyano-1,3-oxazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 725632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).