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

C11H17N3O3 — CID 79665811

IUPAC1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C11H17N3O3/c1-7(2)14-4-5-16-9(6-14)10-12-11(8(3)15)17-13-10/h7,9H,4-6H2,1-3H3
InChIKeyVRSZZSWYGQLBKS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.05
Rot. Bonds3

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

1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 79665811) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID79665811
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C11H17N3O3/c1-7(2)14-4-5-16-9(6-14)10-12-11(8(3)15)17-13-10/h7,9H,4-6H2,1-3H3
InChIKeyVRSZZSWYGQLBKS-UHFFFAOYSA-N
XLogP1.05
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664531
2-[[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570822
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79665247
2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
CID 79657282
N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79657199
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161835
2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798084
4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79657972
N-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79663367
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79665429
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone (CID 79665811) is 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(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]ethanone?
The InChIKey is VRSZZSWYGQLBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)14-4-5-16-9(6-14)10-12-11(8(3)15)17-13-10/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 239.27 g/mol, XLogP of 1.05, 3 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]ethanone is sourced from PubChem (CID 79665811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).