5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one

C17H16N2O2 — CID 150315634

IUPAC5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCCc1ccc(-c2nn(C)c(=O)o2)cc1-c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-3-12-9-10-14(16-18-19(2)17(20)21-16)11-15(12)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyGMNXNVRJVGLYNL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.27
Rot. Bonds3

About 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one

5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 150315634) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID150315634
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCCc1ccc(-c2nn(C)c(=O)o2)cc1-c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-3-12-9-10-14(16-18-19(2)17(20)21-16)11-15(12)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyGMNXNVRJVGLYNL-UHFFFAOYSA-N
XLogP3.27
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one (CID 150315634) is 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one is CCc1ccc(-c2nn(C)c(=O)o2)cc1-c1ccccc1.
What is the InChIKey of 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is GMNXNVRJVGLYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-12-9-10-14(16-18-19(2)17(20)21-16)11-15(12)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 150315634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).