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

C19H21N3O3 — CID 45219268

IUPAC5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
SMILESCOc1ccc(CC2CN(Cc3ccc4nonc4c3)CCO2)cc1
InChIInChI=1S/C19H21N3O3/c1-23-16-5-2-14(3-6-16)10-17-13-22(8-9-24-17)12-15-4-7-18-19(11-15)21-25-20-18/h2-7,11,17H,8-10,12-13H2,1H3
InChIKeyXSDWIZYHWYDCNV-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.67
Rot. Bonds5

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

5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 45219268) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID45219268
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
SMILESCOc1ccc(CC2CN(Cc3ccc4nonc4c3)CCO2)cc1
InChIInChI=1S/C19H21N3O3/c1-23-16-5-2-14(3-6-16)10-17-13-22(8-9-24-17)12-15-4-7-18-19(11-15)21-25-20-18/h2-7,11,17H,8-10,12-13H2,1H3
InChIKeyXSDWIZYHWYDCNV-UHFFFAOYSA-N
XLogP2.67
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole (CID 45219268) is 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole is COc1ccc(CC2CN(Cc3ccc4nonc4c3)CCO2)cc1.
What is the InChIKey of 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is XSDWIZYHWYDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-23-16-5-2-14(3-6-16)10-17-13-22(8-9-24-17)12-15-4-7-18-19(11-15)21-25-20-18/h2-7,11,17H,8-10,12-13H2,1H3.
What are the key properties of 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole has a molecular weight of 339.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 45219268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).