5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole

C19H21N3O2 — CID 45190549

IUPAC5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
SMILESc1ccc(CCC2CN(Cc3ccc4nonc4c3)CCO2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-4-15(5-3-1)6-8-17-14-22(10-11-23-17)13-16-7-9-18-19(12-16)21-24-20-18/h1-5,7,9,12,17H,6,8,10-11,13-14H2
InChIKeyCQTZISIQARKHDF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds5

About 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole

5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 45190549) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID45190549
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
SMILESc1ccc(CCC2CN(Cc3ccc4nonc4c3)CCO2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-4-15(5-3-1)6-8-17-14-22(10-11-23-17)13-16-7-9-18-19(12-16)21-24-20-18/h1-5,7,9,12,17H,6,8,10-11,13-14H2
InChIKeyCQTZISIQARKHDF-UHFFFAOYSA-N
XLogP3.06
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole (CID 45190549) is 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole is c1ccc(CCC2CN(Cc3ccc4nonc4c3)CCO2)cc1.
What is the InChIKey of 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is CQTZISIQARKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-4-15(5-3-1)6-8-17-14-22(10-11-23-17)13-16-7-9-18-19(12-16)21-24-20-18/h1-5,7,9,12,17H,6,8,10-11,13-14H2.
What are the key properties of 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole has a molecular weight of 323.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-phenylethyl)morpholin-4-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 45190549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).