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

C19H21N3O3 — CID 45232008

IUPAC5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
SMILESCOc1cccc(CC2CN(Cc3ccc4nonc4c3)CCO2)c1
InChIInChI=1S/C19H21N3O3/c1-23-16-4-2-3-14(9-16)10-17-13-22(7-8-24-17)12-15-5-6-18-19(11-15)21-25-20-18/h2-6,9,11,17H,7-8,10,12-13H2,1H3
InChIKeyHPPVSMIWOKAARU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.67
Rot. Bonds5

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

5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 45232008) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID45232008
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
SMILESCOc1cccc(CC2CN(Cc3ccc4nonc4c3)CCO2)c1
InChIInChI=1S/C19H21N3O3/c1-23-16-4-2-3-14(9-16)10-17-13-22(7-8-24-17)12-15-5-6-18-19(11-15)21-25-20-18/h2-6,9,11,17H,7-8,10,12-13H2,1H3
InChIKeyHPPVSMIWOKAARU-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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Related Compounds

2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95550670
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole (CID 45232008) is 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole is COc1cccc(CC2CN(Cc3ccc4nonc4c3)CCO2)c1.
What is the InChIKey of 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is HPPVSMIWOKAARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-23-16-4-2-3-14(9-16)10-17-13-22(7-8-24-17)12-15-5-6-18-19(11-15)21-25-20-18/h2-6,9,11,17H,7-8,10,12-13H2,1H3.
What are the key properties of 5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole?
5-[[2-[(3-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-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 45232008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).