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

C18H18N2O3 — CID 5299787

IUPAC1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C18H18N2O3/c1-13(21)20-18(2,15-9-11-16(22-3)12-10-15)23-17(19-20)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyKGFYFBVMEBBIPK-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.11
Rot. Bonds3

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

1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 5299787) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID5299787
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2(C)OC(c3ccccc3)=NN2C(C)=O)cc1
InChIInChI=1S/C18H18N2O3/c1-13(21)20-18(2,15-9-11-16(22-3)12-10-15)23-17(19-20)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyKGFYFBVMEBBIPK-UHFFFAOYSA-N
XLogP3.11
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone 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 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone (CID 5299787) is 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2(C)OC(c3ccccc3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is KGFYFBVMEBBIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)20-18(2,15-9-11-16(22-3)12-10-15)23-17(19-20)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 310.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 5299787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).