1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C14H20N4O2 — CID 725587

IUPAC1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC(C)Cc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C14H20N4O2/c1-9(2)7-12-17-11(8-15)14(20-12)18-5-3-10(4-6-18)13(16)19/h9-10H,3-7H2,1-2H3,(H2,16,19)
InChIKeyJDAKMOMWUVLEQH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.45
Rot. Bonds4

About 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 725587) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID725587
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC(C)Cc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
InChIInChI=1S/C14H20N4O2/c1-9(2)7-12-17-11(8-15)14(20-12)18-5-3-10(4-6-18)13(16)19/h9-10H,3-7H2,1-2H3,(H2,16,19)
InChIKeyJDAKMOMWUVLEQH-UHFFFAOYSA-N
XLogP1.45
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 725587) is 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CC(C)Cc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1.
What is the InChIKey of 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is JDAKMOMWUVLEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)7-12-17-11(8-15)14(20-12)18-5-3-10(4-6-18)13(16)19/h9-10H,3-7H2,1-2H3,(H2,16,19).
What are the key properties of 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(2-methylpropyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 725587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).