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

C21H18N2O3 — CID 1217503

IUPAC3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H18N2O3/c1-24-19-9-5-4-8-17(19)13-20-22-21(26-23-20)14-25-18-11-10-15-6-2-3-7-16(15)12-18/h2-12H,13-14H2,1H3
InChIKeyYVTMHPZZWNMSNA-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.40
Rot. Bonds6

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

3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 1217503) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
PubChem CID1217503
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H18N2O3/c1-24-19-9-5-4-8-17(19)13-20-22-21(26-23-20)14-25-18-11-10-15-6-2-3-7-16(15)12-18/h2-12H,13-14H2,1H3
InChIKeyYVTMHPZZWNMSNA-UHFFFAOYSA-N
XLogP4.40
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 705847
5-[(2,4-Dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 876417
5-[(2,3-Dimethylphenoxy)methyl]-3-(2-methoxybenzyl)-1,2,4-oxadiazole
CID 888314
5-[(4-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 912623
3-(3,4-Dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 705892
5-[(4-Tert-butylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8087344
3-(3,4-Dimethoxyphenyl)-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 806723
5-[(2-Methylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 874940
3-(3,4-Dimethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 1965998
5-[1-(2-Methylphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2976424
3-(3,4-Dimethoxyphenyl)-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 706136
5-[(2,3-Dimethylphenoxy)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 2990093

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole (CID 1217503) is 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole is COc1ccccc1Cc1noc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is YVTMHPZZWNMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-24-19-9-5-4-8-17(19)13-20-22-21(26-23-20)14-25-18-11-10-15-6-2-3-7-16(15)12-18/h2-12H,13-14H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole?
3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).