2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

C12H13N3O4S — CID 654437

IUPAC2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(-c2ccoc2)o1)N1CCOCC1
InChIInChI=1S/C12H13N3O4S/c16-10(15-2-5-17-6-3-15)8-20-12-14-13-11(19-12)9-1-4-18-7-9/h1,4,7H,2-3,5-6,8H2
InChIKeyIZTVUNNCXMGCLH-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.28
Rot. Bonds4

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

2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 654437) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID654437
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(-c2ccoc2)o1)N1CCOCC1
InChIInChI=1S/C12H13N3O4S/c16-10(15-2-5-17-6-3-15)8-20-12-14-13-11(19-12)9-1-4-18-7-9/h1,4,7H,2-3,5-6,8H2
InChIKeyIZTVUNNCXMGCLH-UHFFFAOYSA-N
XLogP1.28
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 654437) is 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is O=C(CSc1nnc(-c2ccoc2)o1)N1CCOCC1.
What is the InChIKey of 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is IZTVUNNCXMGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-10(15-2-5-17-6-3-15)8-20-12-14-13-11(19-12)9-1-4-18-7-9/h1,4,7H,2-3,5-6,8H2.
What are the key properties of 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 295.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 654437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).