[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C22H20N6O3 — CID 86269942

IUPAC[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccccc1-c1noc([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)n1
InChIInChI=1S/C22H20N6O3/c1-14-7-8-17(28-23-10-11-24-28)16(13-14)22(29)27-12-9-18(27)21-25-20(26-31-21)15-5-3-4-6-19(15)30-2/h3-8,10-11,13,18H,9,12H2,1-2H3/t18-/m0/s1
InChIKeySARRGDZBWKLYAF-SFHVURJKSA-N
MW416.44 g/mol
LogP3.22
Rot. Bonds5

About [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 86269942) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID86269942
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccccc1-c1noc([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)n1
InChIInChI=1S/C22H20N6O3/c1-14-7-8-17(28-23-10-11-24-28)16(13-14)22(29)27-12-9-18(27)21-25-20(26-31-21)15-5-3-4-6-19(15)30-2/h3-8,10-11,13,18H,9,12H2,1-2H3/t18-/m0/s1
InChIKeySARRGDZBWKLYAF-SFHVURJKSA-N
XLogP3.22
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 86269942) is [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is COc1ccccc1-c1noc([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)n1.
What is the InChIKey of [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is SARRGDZBWKLYAF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-14-7-8-17(28-23-10-11-24-28)16(13-14)22(29)27-12-9-18(27)21-25-20(26-31-21)15-5-3-4-6-19(15)30-2/h3-8,10-11,13,18H,9,12H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 416.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 86269942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).