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

C9H15N3O2 — CID 139316134

IUPAC4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc(N2CCOCC2)o1
InChIInChI=1S/C9H15N3O2/c1-7(2)8-10-11-9(14-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyIZDRGKIHFBIAMH-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.03
Rot. Bonds2

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

4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 139316134) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID139316134
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCC(C)c1nnc(N2CCOCC2)o1
InChIInChI=1S/C9H15N3O2/c1-7(2)8-10-11-9(14-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3
InChIKeyIZDRGKIHFBIAMH-UHFFFAOYSA-N
XLogP1.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine (CID 139316134) is 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is CC(C)c1nnc(N2CCOCC2)o1.
What is the InChIKey of 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is IZDRGKIHFBIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)8-10-11-9(14-8)12-3-5-13-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine?
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 197.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 139316134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).