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

C16H24N6O2 — CID 71872308

IUPAC4-[(5-cyclobutyl-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(C4CCC4)o3)CCO2)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)14-17-15(20-19-14)12-8-22(6-7-23-12)9-13-18-21-16(24-13)11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,17,19,20)
InChIKeyITJKOKVOOPVZID-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.15
Rot. Bonds5

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

4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 71872308) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[(5-cyclobutyl-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-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID71872308
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-[(5-cyclobutyl-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(C4CCC4)o3)CCO2)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)14-17-15(20-19-14)12-8-22(6-7-23-12)9-13-18-21-16(24-13)11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,17,19,20)
InChIKeyITJKOKVOOPVZID-UHFFFAOYSA-N
XLogP2.15
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.15
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-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 71872308) is 4-[(5-cyclobutyl-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-cyclobutyl-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-cyclobutyl-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(C4CCC4)o3)CCO2)n1.
What is the InChIKey of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is ITJKOKVOOPVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)14-17-15(20-19-14)12-8-22(6-7-23-12)9-13-18-21-16(24-13)11-4-3-5-11/h10-12H,3-9H2,1-2H3,(H,17,19,20).
What are the key properties of 4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-[(5-cyclobutyl-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 332.41 g/mol, XLogP of 2.15, 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-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 71872308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).