5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole

C22H25N3O2 — CID 71784369

IUPAC5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(C2CN(Cc3cc(C)ccc3C)C2)n1
InChIInChI=1S/C22H25N3O2/c1-15-8-9-16(2)18(10-15)12-25-13-19(14-25)22-23-21(24-27-22)11-17-6-4-5-7-20(17)26-3/h4-10,19H,11-14H2,1-3H3
InChIKeyORWPUCTZVXHGNJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.89
Rot. Bonds6

About 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole

5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 71784369) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID71784369
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(C2CN(Cc3cc(C)ccc3C)C2)n1
InChIInChI=1S/C22H25N3O2/c1-15-8-9-16(2)18(10-15)12-25-13-19(14-25)22-23-21(24-27-22)11-17-6-4-5-7-20(17)26-3/h4-10,19H,11-14H2,1-3H3
InChIKeyORWPUCTZVXHGNJ-UHFFFAOYSA-N
XLogP3.89
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 71784369) is 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccccc1Cc1noc(C2CN(Cc3cc(C)ccc3C)C2)n1.
What is the InChIKey of 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is ORWPUCTZVXHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-8-9-16(2)18(10-15)12-25-13-19(14-25)22-23-21(24-27-22)11-17-6-4-5-7-20(17)26-3/h4-10,19H,11-14H2,1-3H3.
What are the key properties of 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 363.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,5-dimethylphenyl)methyl]azetidin-3-yl]-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71784369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).