4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one

C12H14N4O2S — CID 9043036

IUPAC4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N1CCNC(=O)C1
InChIInChI=1S/C12H14N4O2S/c1-8(16-5-4-13-10(17)7-16)11-14-15-12(18-11)9-3-2-6-19-9/h2-3,6,8H,4-5,7H2,1H3,(H,13,17)/t8-/m0/s1
InChIKeyGQEDANAKVGDAOU-QMMMGPOBSA-N
MW278.34 g/mol
LogP1.29
Rot. Bonds3

About 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one

4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one (PubChem CID 9043036) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one
PubChem CID9043036
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N1CCNC(=O)C1
InChIInChI=1S/C12H14N4O2S/c1-8(16-5-4-13-10(17)7-16)11-14-15-12(18-11)9-3-2-6-19-9/h2-3,6,8H,4-5,7H2,1H3,(H,13,17)/t8-/m0/s1
InChIKeyGQEDANAKVGDAOU-QMMMGPOBSA-N
XLogP1.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one with MolForge

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Related Compounds

2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 95781790
1-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 9034758
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98684296
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 36876738
1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
1-morpholin-4-yl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 30955766
(2R)-N-cyclopropyl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 51928787

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one (CID 9043036) is 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one is C[C@@H](c1nnc(-c2cccs2)o1)N1CCNC(=O)C1.
What is the InChIKey of 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one?
The InChIKey is GQEDANAKVGDAOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(16-5-4-13-10(17)7-16)11-14-15-12(18-11)9-3-2-6-19-9/h2-3,6,8H,4-5,7H2,1H3,(H,13,17)/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one?
4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one has a molecular weight of 278.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 9043036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).