2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

C20H16N2O3 — CID 11348131

IUPAC2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccc4cc(OC)ccc4c3)o2)c1
InChIInChI=1S/C20H16N2O3/c1-23-17-5-3-4-15(12-17)19-21-22-20(25-19)16-7-6-14-11-18(24-2)9-8-13(14)10-16/h3-12H,1-2H3
InChIKeyJAFFTBGOQBXOBA-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.57
Rot. Bonds4

About 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 11348131) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID11348131
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cccc(-c2nnc(-c3ccc4cc(OC)ccc4c3)o2)c1
InChIInChI=1S/C20H16N2O3/c1-23-17-5-3-4-15(12-17)19-21-22-20(25-19)16-7-6-14-11-18(24-2)9-8-13(14)10-16/h3-12H,1-2H3
InChIKeyJAFFTBGOQBXOBA-UHFFFAOYSA-N
XLogP4.57
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
2-(2,4-dimethylpyrimidin-5-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99962847
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole (CID 11348131) is 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is COc1cccc(-c2nnc(-c3ccc4cc(OC)ccc4c3)o2)c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is JAFFTBGOQBXOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-23-17-5-3-4-15(12-17)19-21-22-20(25-19)16-7-6-14-11-18(24-2)9-8-13(14)10-16/h3-12H,1-2H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole?
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 11348131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).