[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone

C21H21N3O3 — CID 50778885

IUPAC[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C)cc(-c2nc(-c3cccc(C(=O)N4CCOCC4)c3)no2)c1
InChIInChI=1S/C21H21N3O3/c1-14-10-15(2)12-18(11-14)20-22-19(23-27-20)16-4-3-5-17(13-16)21(25)24-6-8-26-9-7-24/h3-5,10-13H,6-9H2,1-2H3
InChIKeyPLMZWXCZUQRJFA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.49
Rot. Bonds3

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

[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 50778885) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID50778885
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(C)cc(-c2nc(-c3cccc(C(=O)N4CCOCC4)c3)no2)c1
InChIInChI=1S/C21H21N3O3/c1-14-10-15(2)12-18(11-14)20-22-19(23-27-20)16-4-3-5-17(13-16)21(25)24-6-8-26-9-7-24/h3-5,10-13H,6-9H2,1-2H3
InChIKeyPLMZWXCZUQRJFA-UHFFFAOYSA-N
XLogP3.49
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50779040
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 20973307
N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50779162
[3-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321651
[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
CID 50834010
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone (CID 50778885) is [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone is Cc1cc(C)cc(-c2nc(-c3cccc(C(=O)N4CCOCC4)c3)no2)c1.
What is the InChIKey of [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is PLMZWXCZUQRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-10-15(2)12-18(11-14)20-22-19(23-27-20)16-4-3-5-17(13-16)21(25)24-6-8-26-9-7-24/h3-5,10-13H,6-9H2,1-2H3.
What are the key properties of [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 363.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50778885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).