1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate

C18H16N2O4 — CID 18196876

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H16N2O4/c1-12(23-18(21)14-9-6-10-15(11-14)22-2)16-19-20-17(24-16)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyYFMLPHZHGAJHIW-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate (PubChem CID 18196876) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
PubChem CID18196876
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H16N2O4/c1-12(23-18(21)14-9-6-10-15(11-14)22-2)16-19-20-17(24-16)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyYFMLPHZHGAJHIW-UHFFFAOYSA-N
XLogP3.66
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-bromobenzoate
CID 9017371
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-fluorobenzoate
CID 9198579
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(dimethylamino)benzoate
CID 7593516
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(dimethylamino)benzoate
CID 18201208
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-(methylsulfinylmethyl)benzoate
CID 46518871
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7630583
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3,4-dimethylbenzoate
CID 9290691
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4,5-trimethoxybenzoate
CID 7604513
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-2-carboxylate
CID 9416628

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate (CID 18196876) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate is COc1cccc(C(=O)OC(C)c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate?
The InChIKey is YFMLPHZHGAJHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(23-18(21)14-9-6-10-15(11-14)22-2)16-19-20-17(24-16)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate has a molecular weight of 324.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate is sourced from PubChem (CID 18196876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).