5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C14H16N4OS — CID 940291

IUPAC5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCCN1CCN(c2oc(-c3cccs3)nc2C#N)CC1
InChIInChI=1S/C14H16N4OS/c1-2-17-5-7-18(8-6-17)14-11(10-15)16-13(19-14)12-4-3-9-20-12/h3-4,9H,2,5-8H2,1H3
InChIKeyLDNAMYAURDLSFS-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.42
Rot. Bonds3

About 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 940291) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID940291
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESCCN1CCN(c2oc(-c3cccs3)nc2C#N)CC1
InChIInChI=1S/C14H16N4OS/c1-2-17-5-7-18(8-6-17)14-11(10-15)16-13(19-14)12-4-3-9-20-12/h3-4,9H,2,5-8H2,1H3
InChIKeyLDNAMYAURDLSFS-UHFFFAOYSA-N
XLogP2.42
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 940291) is 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is CCN1CCN(c2oc(-c3cccs3)nc2C#N)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is LDNAMYAURDLSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-17-5-7-18(8-6-17)14-11(10-15)16-13(19-14)12-4-3-9-20-12/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 940291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).