1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C22H30N4O3 — CID 110135904

IUPAC1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C22H30N4O3/c1-3-20-22(16(2)24-29-20)19-6-4-5-18(23-19)17-7-9-26(10-8-17)21(27)15-25-11-13-28-14-12-25/h4-6,17H,3,7-15H2,1-2H3
InChIKeyZOAOWLDUNPIUTI-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.65
Rot. Bonds5

About 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110135904) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110135904
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCOCC3)CC2)n1
InChIInChI=1S/C22H30N4O3/c1-3-20-22(16(2)24-29-20)19-6-4-5-18(23-19)17-7-9-26(10-8-17)21(27)15-25-11-13-28-14-12-25/h4-6,17H,3,7-15H2,1-2H3
InChIKeyZOAOWLDUNPIUTI-UHFFFAOYSA-N
XLogP2.65
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 110135904) is 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone is CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CN3CCOCC3)CC2)n1.
What is the InChIKey of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZOAOWLDUNPIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-20-22(16(2)24-29-20)19-6-4-5-18(23-19)17-7-9-26(10-8-17)21(27)15-25-11-13-28-14-12-25/h4-6,17H,3,7-15H2,1-2H3.
What are the key properties of 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 398.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110135904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).