2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

C11H15N3O — CID 2304936

IUPAC2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(N2CCCCC2)o1
InChIInChI=1S/C11H15N3O/c1-2-10-13-9(8-12)11(15-10)14-6-4-3-5-7-14/h2-7H2,1H3
InChIKeyQYVPKOPITQYGLN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.10
Rot. Bonds2

About 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile

2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 2304936) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID2304936
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(N2CCCCC2)o1
InChIInChI=1S/C11H15N3O/c1-2-10-13-9(8-12)11(15-10)14-6-4-3-5-7-14/h2-7H2,1H3
InChIKeyQYVPKOPITQYGLN-UHFFFAOYSA-N
XLogP2.10
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 2304936) is 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is CCc1nc(C#N)c(N2CCCCC2)o1.
What is the InChIKey of 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is QYVPKOPITQYGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-10-13-9(8-12)11(15-10)14-6-4-3-5-7-14/h2-7H2,1H3.
What are the key properties of 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2304936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).