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

C13H15N3O2 — CID 135015280

IUPAC4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESc1ccc(Cc2nnc(N3CCOCC3)o2)cc1
InChIInChI=1S/C13H15N3O2/c1-2-4-11(5-3-1)10-12-14-15-13(18-12)16-6-8-17-9-7-16/h1-5H,6-10H2
InChIKeyQLAPRPGFYFSROE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.50
Rot. Bonds3

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

4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 135015280) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID135015280
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESc1ccc(Cc2nnc(N3CCOCC3)o2)cc1
InChIInChI=1S/C13H15N3O2/c1-2-4-11(5-3-1)10-12-14-15-13(18-12)16-6-8-17-9-7-16/h1-5H,6-10H2
InChIKeyQLAPRPGFYFSROE-UHFFFAOYSA-N
XLogP1.50
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine (CID 135015280) is 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine is c1ccc(Cc2nnc(N3CCOCC3)o2)cc1.
What is the InChIKey of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is QLAPRPGFYFSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-4-11(5-3-1)10-12-14-15-13(18-12)16-6-8-17-9-7-16/h1-5H,6-10H2.
What are the key properties of 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine?
4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 245.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 135015280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).