5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole

C22H20N2O2 — CID 42692396

IUPAC5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)c(C)c(OCc2noc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C22H20N2O2/c1-14-10-15(2)16(3)20(11-14)25-13-21-23-22(26-24-21)19-9-8-17-6-4-5-7-18(17)12-19/h4-12H,13H2,1-3H3
InChIKeyIRLDZYQMFQZLBN-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.39
Rot. Bonds4

About 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole

5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 42692396) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID42692396
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)c(C)c(OCc2noc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C22H20N2O2/c1-14-10-15(2)16(3)20(11-14)25-13-21-23-22(26-24-21)19-9-8-17-6-4-5-7-18(17)12-19/h4-12H,13H2,1-3H3
InChIKeyIRLDZYQMFQZLBN-UHFFFAOYSA-N
XLogP5.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole (CID 42692396) is 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole is Cc1cc(C)c(C)c(OCc2noc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is IRLDZYQMFQZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-10-15(2)16(3)20(11-14)25-13-21-23-22(26-24-21)19-9-8-17-6-4-5-7-18(17)12-19/h4-12H,13H2,1-3H3.
What are the key properties of 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 344.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).