4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

C15H22N6O2 — CID 71928094

IUPAC4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(Cc3nnc(C4CCC4)o3)CCO2)n[nH]1
InChIInChI=1S/C15H22N6O2/c1-2-12-16-14(19-17-12)11-8-21(6-7-22-11)9-13-18-20-15(23-13)10-4-3-5-10/h10-11H,2-9H2,1H3,(H,16,17,19)
InChIKeyGBYHUFZFCCGTAY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.59
Rot. Bonds5

About 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 71928094) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID71928094
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(Cc3nnc(C4CCC4)o3)CCO2)n[nH]1
InChIInChI=1S/C15H22N6O2/c1-2-12-16-14(19-17-12)11-8-21(6-7-22-11)9-13-18-20-15(23-13)10-4-3-5-10/h10-11H,2-9H2,1H3,(H,16,17,19)
InChIKeyGBYHUFZFCCGTAY-UHFFFAOYSA-N
XLogP1.59
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 71928094) is 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc(C2CN(Cc3nnc(C4CCC4)o3)CCO2)n[nH]1.
What is the InChIKey of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is GBYHUFZFCCGTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-2-12-16-14(19-17-12)11-8-21(6-7-22-11)9-13-18-20-15(23-13)10-4-3-5-10/h10-11H,2-9H2,1H3,(H,16,17,19).
What are the key properties of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 318.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 71928094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).