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

C19H16N4O3 — CID 6462072

IUPAC5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H16N4O3/c20-13-15-19(26-17(21-15)14-5-2-1-3-6-14)23-10-8-22(9-11-23)18(24)16-7-4-12-25-16/h1-7,12H,8-11H2
InChIKeyJFQAQKOICFMDIJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.77
Rot. Bonds3

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

5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 6462072) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID6462072
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H16N4O3/c20-13-15-19(26-17(21-15)14-5-2-1-3-6-14)23-10-8-22(9-11-23)18(24)16-7-4-12-25-16/h1-7,12H,8-11H2
InChIKeyJFQAQKOICFMDIJ-UHFFFAOYSA-N
XLogP2.77
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile (CID 6462072) is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is JFQAQKOICFMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-13-15-19(26-17(21-15)14-5-2-1-3-6-14)23-10-8-22(9-11-23)18(24)16-7-4-12-25-16/h1-7,12H,8-11H2.
What are the key properties of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile?
5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6462072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).