5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C18H18N2O3 — CID 2990093

IUPAC5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(COc3cccc(C)c3C)n2)c1
InChIInChI=1S/C18H18N2O3/c1-12-6-4-9-16(13(12)2)22-11-17-19-18(20-23-17)14-7-5-8-15(10-14)21-3/h4-10H,11H2,1-3H3
InChIKeyGRNPMMSXUDDPQF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.94
Rot. Bonds5

About 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2990093) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2990093
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(COc3cccc(C)c3C)n2)c1
InChIInChI=1S/C18H18N2O3/c1-12-6-4-9-16(13(12)2)22-11-17-19-18(20-23-17)14-7-5-8-15(10-14)21-3/h4-10H,11H2,1-3H3
InChIKeyGRNPMMSXUDDPQF-UHFFFAOYSA-N
XLogP3.94
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 2990093) is 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(COc3cccc(C)c3C)n2)c1.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GRNPMMSXUDDPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-6-4-9-16(13(12)2)22-11-17-19-18(20-23-17)14-7-5-8-15(10-14)21-3/h4-10H,11H2,1-3H3.
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 310.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2990093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).