4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine

C13H15N3O4S — CID 53042642

IUPAC4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C13H15N3O4S/c1-10-14-13(15-20-10)11-3-2-4-12(9-11)21(17,18)16-5-7-19-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyDOZYEMLJDBFFCO-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.07
Rot. Bonds3

About 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine

4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine (PubChem CID 53042642) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
PubChem CID53042642
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C13H15N3O4S/c1-10-14-13(15-20-10)11-3-2-4-12(9-11)21(17,18)16-5-7-19-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyDOZYEMLJDBFFCO-UHFFFAOYSA-N
XLogP1.07
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 46365849
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46365813
4-[[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl]sulfonyl]morpholine
CID 53082444
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521576
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]sulfonylmorpholine
CID 4094415
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylaniline
CID 55680981
N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17012719
4-[(1R)-1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]ethyl]morpholine
CID 95198417
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46365853

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine (CID 53042642) is 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine is Cc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)no1.
What is the InChIKey of 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine?
The InChIKey is DOZYEMLJDBFFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-10-14-13(15-20-10)11-3-2-4-12(9-11)21(17,18)16-5-7-19-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine?
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine has a molecular weight of 309.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 53042642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).