piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C12H13N3O2S — CID 24858712

IUPACpiperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCNCC1
InChIInChI=1S/C12H13N3O2S/c16-12(15-5-3-13-4-6-15)9-8-10(17-14-9)11-2-1-7-18-11/h1-2,7-8,13H,3-6H2
InChIKeyQUHYZCRWLAHBOE-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.45
Rot. Bonds2

About piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 24858712) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID24858712
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Namepiperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCNCC1
InChIInChI=1S/C12H13N3O2S/c16-12(15-5-3-13-4-6-15)9-8-10(17-14-9)11-2-1-7-18-11/h1-2,7-8,13H,3-6H2
InChIKeyQUHYZCRWLAHBOE-UHFFFAOYSA-N
XLogP1.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 80706468
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
cyclohexyl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 128950819
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 103726970
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134011505
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 55529250
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914930
4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38813023
(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55486490
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 32854385

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 24858712) is piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is QUHYZCRWLAHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(15-5-3-13-4-6-15)9-8-10(17-14-9)11-2-1-7-18-11/h1-2,7-8,13H,3-6H2.
What are the key properties of piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 263.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 24858712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).