2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine

C20H22N4O5S — CID 110224483

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
SMILESCOc1ccc(-c2noc(C3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)cc1
InChIInChI=1S/C20H22N4O5S/c1-27-17-4-2-16(3-5-17)19-22-20(29-23-19)18-14-24(11-12-28-18)30(25,26)13-8-15-6-9-21-10-7-15/h2-7,9-10,18H,8,11-14H2,1H3
InChIKeyLONQUEBDKJYUJE-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.09
Rot. Bonds7

About 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine (PubChem CID 110224483) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
PubChem CID110224483
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
SMILESCOc1ccc(-c2noc(C3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)cc1
InChIInChI=1S/C20H22N4O5S/c1-27-17-4-2-16(3-5-17)19-22-20(29-23-19)18-14-24(11-12-28-18)30(25,26)13-8-15-6-9-21-10-7-15/h2-7,9-10,18H,8,11-14H2,1H3
InChIKeyLONQUEBDKJYUJE-UHFFFAOYSA-N
XLogP2.09
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 92600457
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 46956767
3-(4-methoxyphenyl)-5-[(3R)-1-propylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456310
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
3-(4-methoxyphenyl)-5-[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 46096607
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954
2-(2-fluorophenyl)-4-[2-(3-methoxyphenyl)ethylsulfonyl]morpholine
CID 110609355
3-(3-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 649557

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine (CID 110224483) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine is COc1ccc(-c2noc(C3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine?
The InChIKey is LONQUEBDKJYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-27-17-4-2-16(3-5-17)19-22-20(29-23-19)18-14-24(11-12-28-18)30(25,26)13-8-15-6-9-21-10-7-15/h2-7,9-10,18H,8,11-14H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine has a molecular weight of 430.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine is sourced from PubChem (CID 110224483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).