1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone

C19H20N2O3 — CID 3270170

IUPAC1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(CC2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C19H20N2O3/c1-14(22)21-19(2,13-15-9-11-17(23-3)12-10-15)24-18(20-21)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyWMEVPUIQXRAWKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone

1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 3270170) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID3270170
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(CC2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C19H20N2O3/c1-14(22)21-19(2,13-15-9-11-17(23-3)12-10-15)24-18(20-21)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3
InChIKeyWMEVPUIQXRAWKR-UHFFFAOYSA-N
XLogP3.19
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone (CID 3270170) is 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(CC2(C)OC(c3ccccc3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is WMEVPUIQXRAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(22)21-19(2,13-15-9-11-17(23-3)12-10-15)24-18(20-21)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 324.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 3270170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).