5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C18H18N2O4 — CID 56897566

IUPAC5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C)cc1OCc1nc(COc2ccccc2)no1
InChIInChI=1S/C18H18N2O4/c1-13-8-9-15(21-2)16(10-13)23-12-18-19-17(20-24-18)11-22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyXTYLHRYOZVLHIX-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.54
Rot. Bonds7

About 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 56897566) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID56897566
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C)cc1OCc1nc(COc2ccccc2)no1
InChIInChI=1S/C18H18N2O4/c1-13-8-9-15(21-2)16(10-13)23-12-18-19-17(20-24-18)11-22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyXTYLHRYOZVLHIX-UHFFFAOYSA-N
XLogP3.54
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56896444
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 82284630
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 63322856
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 56897566) is 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is COc1ccc(C)cc1OCc1nc(COc2ccccc2)no1.
What is the InChIKey of 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is XTYLHRYOZVLHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-13-8-9-15(21-2)16(10-13)23-12-18-19-17(20-24-18)11-22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 326.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56897566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).