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

C13H22N4O3S — CID 4851480

IUPAC2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCCC(c1nnc(SCC(=O)N2CCOCC2)o1)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-4-10(16(2)3)12-14-15-13(20-12)21-9-11(18)17-5-7-19-8-6-17/h10H,4-9H2,1-3H3
InChIKeySXKBQJGNVGKHTH-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.03
Rot. Bonds6

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

2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 4851480) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID4851480
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCCC(c1nnc(SCC(=O)N2CCOCC2)o1)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-4-10(16(2)3)12-14-15-13(20-12)21-9-11(18)17-5-7-19-8-6-17/h10H,4-9H2,1-3H3
InChIKeySXKBQJGNVGKHTH-UHFFFAOYSA-N
XLogP1.03
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 4851480) is 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is CCC(c1nnc(SCC(=O)N2CCOCC2)o1)N(C)C.
What is the InChIKey of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is SXKBQJGNVGKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-10(16(2)3)12-14-15-13(20-12)21-9-11(18)17-5-7-19-8-6-17/h10H,4-9H2,1-3H3.
What are the key properties of 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 314.41 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 4851480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).