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

C18H17N3O2S — CID 3237496

IUPAC(4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H17N3O2S/c22-18(15-13-16(23-19-15)17-7-4-12-24-17)21-10-8-20(9-11-21)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2
InChIKeyUVPFMOQJDMJGBY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.37
Rot. Bonds3

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

(4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 3237496) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID3237496
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H17N3O2S/c22-18(15-13-16(23-19-15)17-7-4-12-24-17)21-10-8-20(9-11-21)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2
InChIKeyUVPFMOQJDMJGBY-UHFFFAOYSA-N
XLogP3.37
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 3237496) is (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is UVPFMOQJDMJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(15-13-16(23-19-15)17-7-4-12-24-17)21-10-8-20(9-11-21)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
(4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3237496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).