4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine

C19H26N4O2 — CID 71928049

IUPAC4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCCc1nc(C2CN(CCc3ccc4c(c3)CCO4)CCO2)n[nH]1
InChIInChI=1S/C19H26N4O2/c1-2-3-18-20-19(22-21-18)17-13-23(9-11-25-17)8-6-14-4-5-16-15(12-14)7-10-24-16/h4-5,12,17H,2-3,6-11,13H2,1H3,(H,20,21,22)
InChIKeyBDRYZVLLDABWSZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.31
Rot. Bonds6

About 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine

4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 71928049) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID71928049
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCCc1nc(C2CN(CCc3ccc4c(c3)CCO4)CCO2)n[nH]1
InChIInChI=1S/C19H26N4O2/c1-2-3-18-20-19(22-21-18)17-13-23(9-11-25-17)8-6-14-4-5-16-15(12-14)7-10-24-16/h4-5,12,17H,2-3,6-11,13H2,1H3,(H,20,21,22)
InChIKeyBDRYZVLLDABWSZ-UHFFFAOYSA-N
XLogP2.31
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine (CID 71928049) is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine is CCCc1nc(C2CN(CCc3ccc4c(c3)CCO4)CCO2)n[nH]1.
What is the InChIKey of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is BDRYZVLLDABWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-18-20-19(22-21-18)17-13-23(9-11-25-17)8-6-14-4-5-16-15(12-14)7-10-24-16/h4-5,12,17H,2-3,6-11,13H2,1H3,(H,20,21,22).
What are the key properties of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 342.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 71928049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).