1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C25H24N2O4 — CID 22576993

IUPAC1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(COc2ccccc2C)OC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-8-6-7-11-23(18)30-17-24-26-27(19(2)28)25(31-24)21-12-14-22(15-13-21)29-16-20-9-4-3-5-10-20/h3-15,25H,16-17H2,1-2H3
InChIKeyUFZNNPWGAXGJMJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.84
Rot. Bonds7

About 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22576993) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22576993
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(COc2ccccc2C)OC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O4/c1-18-8-6-7-11-23(18)30-17-24-26-27(19(2)28)25(31-24)21-12-14-22(15-13-21)29-16-20-9-4-3-5-10-20/h3-15,25H,16-17H2,1-2H3
InChIKeyUFZNNPWGAXGJMJ-UHFFFAOYSA-N
XLogP4.84
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22576993) is 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(COc2ccccc2C)OC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is UFZNNPWGAXGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-8-6-7-11-23(18)30-17-24-26-27(19(2)28)25(31-24)21-12-14-22(15-13-21)29-16-20-9-4-3-5-10-20/h3-15,25H,16-17H2,1-2H3.
What are the key properties of 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 416.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methylphenoxy)methyl]-2-(4-phenylmethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22576993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).