2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole

C20H19N5O3 — CID 155549609

IUPAC2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(Cn2cc(COc3ccc(-c4nnc(C)o4)cc3)nn2)c1
InChIInChI=1S/C20H19N5O3/c1-14-21-23-20(28-14)16-6-8-18(9-7-16)27-13-17-12-25(24-22-17)11-15-4-3-5-19(10-15)26-2/h3-10,12H,11,13H2,1-2H3
InChIKeyWFYOGGVZOKCBAJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.27
Rot. Bonds7

About 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole

2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155549609) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155549609
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(Cn2cc(COc3ccc(-c4nnc(C)o4)cc3)nn2)c1
InChIInChI=1S/C20H19N5O3/c1-14-21-23-20(28-14)16-6-8-18(9-7-16)27-13-17-12-25(24-22-17)11-15-4-3-5-19(10-15)26-2/h3-10,12H,11,13H2,1-2H3
InChIKeyWFYOGGVZOKCBAJ-UHFFFAOYSA-N
XLogP3.27
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole (CID 155549609) is 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole is COc1cccc(Cn2cc(COc3ccc(-c4nnc(C)o4)cc3)nn2)c1.
What is the InChIKey of 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WFYOGGVZOKCBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-14-21-23-20(28-14)16-6-8-18(9-7-16)27-13-17-12-25(24-22-17)11-15-4-3-5-19(10-15)26-2/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 377.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).