2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

C9H15N3O2 — CID 75480798

IUPAC2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc(C2CNCCO2)no1
InChIInChI=1S/C9H15N3O2/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7/h6-7,10H,3-5H2,1-2H3
InChIKeyYKIMBMREHRVXEW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.85
Rot. Bonds2

About 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 75480798) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID75480798
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc(C2CNCCO2)no1
InChIInChI=1S/C9H15N3O2/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7/h6-7,10H,3-5H2,1-2H3
InChIKeyYKIMBMREHRVXEW-UHFFFAOYSA-N
XLogP0.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 75480798) is 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is CC(C)c1nc(C2CNCCO2)no1.
What is the InChIKey of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is YKIMBMREHRVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 197.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 75480798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).