1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C15H17N3O4S — CID 866876

IUPAC1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(COc2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C15H17N3O4S/c19-14(18-6-8-20-9-7-18)11-23-15-17-16-13(22-15)10-21-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyOHXINDAOODDWOR-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.60
Rot. Bonds6

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

1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 866876) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID866876
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(COc2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C15H17N3O4S/c19-14(18-6-8-20-9-7-18)11-23-15-17-16-13(22-15)10-21-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyOHXINDAOODDWOR-UHFFFAOYSA-N
XLogP1.60
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 866876) is 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(COc2ccccc2)o1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is OHXINDAOODDWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-14(18-6-8-20-9-7-18)11-23-15-17-16-13(22-15)10-21-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 335.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 866876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).