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

C9H15N3O2 — CID 86811646

IUPAC3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc(C2COCCN2)o1
InChIInChI=1S/C9H15N3O2/c1-6(2)8-11-12-9(14-8)7-5-13-4-3-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyOYDYJPAXRFFTGK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.85
Rot. Bonds2

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

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 86811646) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID86811646
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc(C2COCCN2)o1
InChIInChI=1S/C9H15N3O2/c1-6(2)8-11-12-9(14-8)7-5-13-4-3-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyOYDYJPAXRFFTGK-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 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (CID 86811646) is 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is CC(C)c1nnc(C2COCCN2)o1.
What is the InChIKey of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is OYDYJPAXRFFTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)8-11-12-9(14-8)7-5-13-4-3-10-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
3-(5-propan-2-yl-1,3,4-oxadiazol-2-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 3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 86811646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).