3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one

C11H17N3O2 — CID 106421364

IUPAC3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one
SMILESCCNC1CCCN(Cc2ccno2)C1=O
InChIInChI=1S/C11H17N3O2/c1-2-12-10-4-3-7-14(11(10)15)8-9-5-6-13-16-9/h5-6,10,12H,2-4,7-8H2,1H3
InChIKeyIJKAYVCNJJISCG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds4

About 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one

3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one (PubChem CID 106421364) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one
PubChem CID106421364
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one
SMILESCCNC1CCCN(Cc2ccno2)C1=O
InChIInChI=1S/C11H17N3O2/c1-2-12-10-4-3-7-14(11(10)15)8-9-5-6-13-16-9/h5-6,10,12H,2-4,7-8H2,1H3
InChIKeyIJKAYVCNJJISCG-UHFFFAOYSA-N
XLogP0.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one (CID 106421364) is 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one is CCNC1CCCN(Cc2ccno2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one?
The InChIKey is IJKAYVCNJJISCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-12-10-4-3-7-14(11(10)15)8-9-5-6-13-16-9/h5-6,10,12H,2-4,7-8H2,1H3.
What are the key properties of 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one?
3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one is sourced from PubChem (CID 106421364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).