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

C15H22N6O2 — CID 71872306

IUPAC4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(Cc3nnc(C4CC4)o3)CCO2)n1
InChIInChI=1S/C15H22N6O2/c1-9(2)13-16-14(19-18-13)11-7-21(5-6-22-11)8-12-17-20-15(23-12)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,16,18,19)
InChIKeyWJJXDXHBXGUDED-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.76
Rot. Bonds5

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

4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 71872306) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID71872306
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(Cc3nnc(C4CC4)o3)CCO2)n1
InChIInChI=1S/C15H22N6O2/c1-9(2)13-16-14(19-18-13)11-7-21(5-6-22-11)8-12-17-20-15(23-12)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,16,18,19)
InChIKeyWJJXDXHBXGUDED-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 71872306) is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c(C2CN(Cc3nnc(C4CC4)o3)CCO2)n1.
What is the InChIKey of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is WJJXDXHBXGUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9(2)13-16-14(19-18-13)11-7-21(5-6-22-11)8-12-17-20-15(23-12)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,16,18,19).
What are the key properties of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 318.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 71872306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).