2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine

C12H20N4O2 — CID 79657282

IUPAC2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2noc(C3CNC3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-8(2)16-3-4-17-10(7-16)11-14-12(18-15-11)9-5-13-6-9/h8-10,13H,3-7H2,1-2H3
InChIKeyQJVAPCKBDGLNAL-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.54
Rot. Bonds3

About 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine

2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine (PubChem CID 79657282) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
PubChem CID79657282
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2noc(C3CNC3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-8(2)16-3-4-17-10(7-16)11-14-12(18-15-11)9-5-13-6-9/h8-10,13H,3-7H2,1-2H3
InChIKeyQJVAPCKBDGLNAL-UHFFFAOYSA-N
XLogP0.54
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
CID 79657123
4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104900713
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 79665811
3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115076999
4-propan-2-yl-2-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79658286
2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
CID 97343791
4-methyl-2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79077245
3-methyl-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79665247
N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79657199
4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79666239
2-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79657510

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine (CID 79657282) is 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(c2noc(C3CNC3)n2)C1.
What is the InChIKey of 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine?
The InChIKey is QJVAPCKBDGLNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)16-3-4-17-10(7-16)11-14-12(18-15-11)9-5-13-6-9/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine?
2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine has a molecular weight of 252.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 79657282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).