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

C20H19N3O4 — CID 46266743

IUPAC1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-18(23-10-12-25-13-11-23)14-26-17-8-6-16(7-9-17)20-21-19(22-27-20)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyJCBCIZJHQODYSG-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.64
Rot. Bonds5

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

1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone (PubChem CID 46266743) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
PubChem CID46266743
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-18(23-10-12-25-13-11-23)14-26-17-8-6-16(7-9-17)20-21-19(22-27-20)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyJCBCIZJHQODYSG-UHFFFAOYSA-N
XLogP2.64
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266774
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 25238363
2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 25238267
2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone
CID 22581258
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
2-(4-bromophenoxy)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 46402988
2-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032720
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone (CID 46266743) is 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone is O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone?
The InChIKey is JCBCIZJHQODYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18(23-10-12-25-13-11-23)14-26-17-8-6-16(7-9-17)20-21-19(22-27-20)15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone?
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone has a molecular weight of 365.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone is sourced from PubChem (CID 46266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).