1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone

C26H23N3O3 — CID 119037918

IUPAC1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C26H23N3O3/c30-24(17-19-11-13-21(14-12-19)20-7-3-1-4-8-20)29-15-16-31-18-23(29)26-27-25(28-32-26)22-9-5-2-6-10-22/h1-14,23H,15-18H2
InChIKeyXBTPPIGTOYUIHT-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.55
Rot. Bonds5

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

1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 119037918) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
PubChem CID119037918
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C26H23N3O3/c30-24(17-19-11-13-21(14-12-19)20-7-3-1-4-8-20)29-15-16-31-18-23(29)26-27-25(28-32-26)22-9-5-2-6-10-22/h1-14,23H,15-18H2
InChIKeyXBTPPIGTOYUIHT-UHFFFAOYSA-N
XLogP4.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716
2-(3-chloro-4-methoxyphenyl)-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 91916617
2-(3,4-dimethoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125125950
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75527839
1-[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95116596
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
CID 129009308
1-[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95116595
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53206168
2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 42765325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone (CID 119037918) is 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is XBTPPIGTOYUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-24(17-19-11-13-21(14-12-19)20-7-3-1-4-8-20)29-15-16-31-18-23(29)26-27-25(28-32-26)22-9-5-2-6-10-22/h1-14,23H,15-18H2.
What are the key properties of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone?
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 425.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 119037918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).