1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

C12H19N3O3 — CID 79664531

IUPAC1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C12H19N3O3/c1-8(2)15-4-5-17-10(7-15)12-13-11(18-14-12)6-9(3)16/h8,10H,4-7H2,1-3H3
InChIKeyMLRTVSIXRCEJGR-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.98
Rot. Bonds4

About 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 79664531) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID79664531
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C12H19N3O3/c1-8(2)15-4-5-17-10(7-15)12-13-11(18-14-12)6-9(3)16/h8,10H,4-7H2,1-3H3
InChIKeyMLRTVSIXRCEJGR-UHFFFAOYSA-N
XLogP0.98
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 79664531) is 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is CC(=O)Cc1nc(C2CN(C(C)C)CCO2)no1.
What is the InChIKey of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is MLRTVSIXRCEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)15-4-5-17-10(7-15)12-13-11(18-14-12)6-9(3)16/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 253.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 79664531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).