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

C18H22N6O2 — CID 56902499

IUPAC4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESc1ccc(CCCn2cc(-c3nc(CN4CCOCC4)no3)nn2)cc1
InChIInChI=1S/C18H22N6O2/c1-2-5-15(6-3-1)7-4-8-24-13-16(20-22-24)18-19-17(21-26-18)14-23-9-11-25-12-10-23/h1-3,5-6,13H,4,7-12,14H2
InChIKeyGYCHMQHLLHGULO-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.79
Rot. Bonds7

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

4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (PubChem CID 56902499) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
PubChem CID56902499
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine
SMILESc1ccc(CCCn2cc(-c3nc(CN4CCOCC4)no3)nn2)cc1
InChIInChI=1S/C18H22N6O2/c1-2-5-15(6-3-1)7-4-8-24-13-16(20-22-24)18-19-17(21-26-18)14-23-9-11-25-12-10-23/h1-3,5-6,13H,4,7-12,14H2
InChIKeyGYCHMQHLLHGULO-UHFFFAOYSA-N
XLogP1.79
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine (CID 56902499) is 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is c1ccc(CCCn2cc(-c3nc(CN4CCOCC4)no3)nn2)cc1.
What is the InChIKey of 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
The InChIKey is GYCHMQHLLHGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-2-5-15(6-3-1)7-4-8-24-13-16(20-22-24)18-19-17(21-26-18)14-23-9-11-25-12-10-23/h1-3,5-6,13H,4,7-12,14H2.
What are the key properties of 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine?
4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine has a molecular weight of 354.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(3-phenylpropyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]morpholine is sourced from PubChem (CID 56902499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).