(4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone

C17H18N4O2S — CID 138017091

IUPAC(4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
SMILESCCc1ncoc1C(=O)N1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C17H18N4O2S/c1-2-13-15(23-11-19-13)17(22)21-8-6-20(7-9-21)16-12-4-10-24-14(12)3-5-18-16/h3-5,10-11H,2,6-9H2,1H3
InChIKeyCAKAZIRPIQFSJB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds3

About (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone

(4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 138017091) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID138017091
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
SMILESCCc1ncoc1C(=O)N1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C17H18N4O2S/c1-2-13-15(23-11-19-13)17(22)21-8-6-20(7-9-21)16-12-4-10-24-14(12)3-5-18-16/h3-5,10-11H,2,6-9H2,1H3
InChIKeyCAKAZIRPIQFSJB-UHFFFAOYSA-N
XLogP2.81
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone (CID 138017091) is (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone is CCc1ncoc1C(=O)N1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is CAKAZIRPIQFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-13-15(23-11-19-13)17(22)21-8-6-20(7-9-21)16-12-4-10-24-14(12)3-5-18-16/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone?
(4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,3-oxazol-5-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 138017091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).