5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole

C10H16N2O — CID 69499558

IUPAC5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole
SMILESCCc1cnc([C@@H]2CCCCN2)o1
InChIInChI=1S/C10H16N2O/c1-2-8-7-12-10(13-8)9-5-3-4-6-11-9/h7,9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyUHIVZTGDOMOBAK-VIFPVBQESA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds2

About 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole

5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole (PubChem CID 69499558) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole
PubChem CID69499558
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole
SMILESCCc1cnc([C@@H]2CCCCN2)o1
InChIInChI=1S/C10H16N2O/c1-2-8-7-12-10(13-8)9-5-3-4-6-11-9/h7,9,11H,2-6H2,1H3/t9-/m0/s1
InChIKeyUHIVZTGDOMOBAK-VIFPVBQESA-N
XLogP2.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole (CID 69499558) is 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole is CCc1cnc([C@@H]2CCCCN2)o1.
What is the InChIKey of 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole?
The InChIKey is UHIVZTGDOMOBAK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-8-7-12-10(13-8)9-5-3-4-6-11-9/h7,9,11H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole?
5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2S)-piperidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 69499558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).