5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C17H14N4O3S — CID 6462909

IUPAC5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H14N4O3S/c18-11-12-17(24-15(19-12)14-4-2-10-25-14)21-7-5-20(6-8-21)16(22)13-3-1-9-23-13/h1-4,9-10H,5-8H2
InChIKeyXEKGBGAOPWIYBC-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.83
Rot. Bonds3

About 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 6462909) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID6462909
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H14N4O3S/c18-11-12-17(24-15(19-12)14-4-2-10-25-14)21-7-5-20(6-8-21)16(22)13-3-1-9-23-13/h1-4,9-10H,5-8H2
InChIKeyXEKGBGAOPWIYBC-UHFFFAOYSA-N
XLogP2.83
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 6462909) is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is XEKGBGAOPWIYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c18-11-12-17(24-15(19-12)14-4-2-10-25-14)21-7-5-20(6-8-21)16(22)13-3-1-9-23-13/h1-4,9-10H,5-8H2.
What are the key properties of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 354.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6462909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).