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

C14H20N6O2 — CID 71872375

IUPAC4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(Cc3noc(C4CC4)n3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2/c1-2-11-15-13(18-17-11)10-7-20(5-6-21-10)8-12-16-14(22-19-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,15,17,18)
InChIKeyQGOCFEXKKAVAIH-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.20
Rot. Bonds5

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

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 71872375) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID71872375
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(C2CN(Cc3noc(C4CC4)n3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2/c1-2-11-15-13(18-17-11)10-7-20(5-6-21-10)8-12-16-14(22-19-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,15,17,18)
InChIKeyQGOCFEXKKAVAIH-UHFFFAOYSA-N
XLogP1.20
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 71872375) is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc(C2CN(Cc3noc(C4CC4)n3)CCO2)n[nH]1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is QGOCFEXKKAVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-2-11-15-13(18-17-11)10-7-20(5-6-21-10)8-12-16-14(22-19-12)9-3-4-9/h9-10H,2-8H2,1H3,(H,15,17,18).
What are the key properties of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 304.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 71872375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).