indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C18H20N4O3 — CID 128971284

IUPACindolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)c3cc4ccccn4c3)CCO2)o1
InChIInChI=1S/C18H20N4O3/c1-12(2)16-19-20-17(25-16)15-11-22(7-8-24-15)18(23)13-9-14-5-3-4-6-21(14)10-13/h3-6,9-10,12,15H,7-8,11H2,1-2H3
InChIKeyYBHGYEOXRMAAIE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds3

About indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 128971284) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameindolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID128971284
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameindolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCC(C)c1nnc(C2CN(C(=O)c3cc4ccccn4c3)CCO2)o1
InChIInChI=1S/C18H20N4O3/c1-12(2)16-19-20-17(25-16)15-11-22(7-8-24-15)18(23)13-9-14-5-3-4-6-21(14)10-13/h3-6,9-10,12,15H,7-8,11H2,1-2H3
InChIKeyYBHGYEOXRMAAIE-UHFFFAOYSA-N
XLogP2.66
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 128971284) is indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CC(C)c1nnc(C2CN(C(=O)c3cc4ccccn4c3)CCO2)o1.
What is the InChIKey of indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is YBHGYEOXRMAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(2)16-19-20-17(25-16)15-11-22(7-8-24-15)18(23)13-9-14-5-3-4-6-21(14)10-13/h3-6,9-10,12,15H,7-8,11H2,1-2H3.
What are the key properties of indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 340.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 128971284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).