(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C17H16N4O2S — CID 18133672

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H16N4O2S/c22-17(13-12-14(23-19-13)15-4-3-11-24-15)21-9-7-20(8-10-21)16-5-1-2-6-18-16/h1-6,11-12H,7-10H2
InChIKeyGTRWKJPCFJLIQY-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.76
Rot. Bonds3

About (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 18133672) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID18133672
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H16N4O2S/c22-17(13-12-14(23-19-13)15-4-3-11-24-15)21-9-7-20(8-10-21)16-5-1-2-6-18-16/h1-6,11-12H,7-10H2
InChIKeyGTRWKJPCFJLIQY-UHFFFAOYSA-N
XLogP2.76
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
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[4-(pyridin-3-ylmethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 18133672) is (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is GTRWKJPCFJLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-17(13-12-14(23-19-13)15-4-3-11-24-15)21-9-7-20(8-10-21)16-5-1-2-6-18-16/h1-6,11-12H,7-10H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 18133672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).