2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

C18H16N4O2 — CID 664671

IUPAC2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H16N4O2/c19-13-15-18(24-17(20-15)16-7-4-12-23-16)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11H2
InChIKeyFUOQFJMFJQPLEV-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.13
Rot. Bonds3

About 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 664671) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID664671
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H16N4O2/c19-13-15-18(24-17(20-15)16-7-4-12-23-16)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11H2
InChIKeyFUOQFJMFJQPLEV-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CID 664671) is 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FUOQFJMFJQPLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-13-15-18(24-17(20-15)16-7-4-12-23-16)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11H2.
What are the key properties of 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 320.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).