1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C18H18N2O4 — CID 44627781

IUPAC1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(21)20-18(14-6-10-16(23-3)11-7-14)24-17(19-20)13-4-8-15(22-2)9-5-13/h4-11,18H,1-3H3
InChIKeyPQPGJVJOXYADQN-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.94
Rot. Bonds4

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

1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 44627781) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID44627781
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2=NN(C(C)=O)C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(21)20-18(14-6-10-16(23-3)11-7-14)24-17(19-20)13-4-8-15(22-2)9-5-13/h4-11,18H,1-3H3
InChIKeyPQPGJVJOXYADQN-UHFFFAOYSA-N
XLogP2.94
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 44627781) is 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2=NN(C(C)=O)C(c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is PQPGJVJOXYADQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(21)20-18(14-6-10-16(23-3)11-7-14)24-17(19-20)13-4-8-15(22-2)9-5-13/h4-11,18H,1-3H3.
What are the key properties of 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 326.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 44627781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).