3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

C17H16N2O2 — CID 2989886

IUPAC3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CCc3ccccc3)n2)c1
InChIInChI=1S/C17H16N2O2/c1-20-15-9-5-8-14(12-15)17-18-16(21-19-17)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyRXFCLHCAOOKPMK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.53
Rot. Bonds5

About 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole

3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (PubChem CID 2989886) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
PubChem CID2989886
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CCc3ccccc3)n2)c1
InChIInChI=1S/C17H16N2O2/c1-20-15-9-5-8-14(12-15)17-18-16(21-19-17)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyRXFCLHCAOOKPMK-UHFFFAOYSA-N
XLogP3.53
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110324148
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83284666
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
3-(3-methoxyphenyl)-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 41299285
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
(2R)-1-[benzyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-ethoxypropan-2-ol
CID 93181416
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859
3-(3-methoxyphenyl)-5-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55988944

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole (CID 2989886) is 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is COc1cccc(-c2noc(CCc3ccccc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is RXFCLHCAOOKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-9-5-8-14(12-15)17-18-16(21-19-17)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2989886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).