2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

C15H19N3O3S — CID 86803507

IUPAC2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESCCc1noc(CN2CCOCC2CC(=O)c2cccs2)n1
InChIInChI=1S/C15H19N3O3S/c1-2-14-16-15(21-17-14)9-18-5-6-20-10-11(18)8-12(19)13-4-3-7-22-13/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyYYEDIQSFILQKSX-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.17
Rot. Bonds6

About 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 86803507) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
PubChem CID86803507
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESCCc1noc(CN2CCOCC2CC(=O)c2cccs2)n1
InChIInChI=1S/C15H19N3O3S/c1-2-14-16-15(21-17-14)9-18-5-6-20-10-11(18)8-12(19)13-4-3-7-22-13/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyYYEDIQSFILQKSX-UHFFFAOYSA-N
XLogP2.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (CID 86803507) is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is CCc1noc(CN2CCOCC2CC(=O)c2cccs2)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is YYEDIQSFILQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-14-16-15(21-17-14)9-18-5-6-20-10-11(18)8-12(19)13-4-3-7-22-13/h3-4,7,11H,2,5-6,8-10H2,1H3.
What are the key properties of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 321.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 86803507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).