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

C16H16N4O4 — CID 34406151

IUPAC2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C16H16N4O4/c17-10-11-15(24-14(18-11)13-2-1-8-22-13)20-6-4-19(5-7-20)12-3-9-23-16(12)21/h1-2,8,12H,3-7,9H2/t12-/m1/s1
InChIKeyFDURSTWPPZLLOW-GFCCVEGCSA-N
MW328.33 g/mol
LogP1.24
Rot. Bonds3

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

2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 34406151) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID34406151
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C16H16N4O4/c17-10-11-15(24-14(18-11)13-2-1-8-22-13)20-6-4-19(5-7-20)12-3-9-23-16(12)21/h1-2,8,12H,3-7,9H2/t12-/m1/s1
InChIKeyFDURSTWPPZLLOW-GFCCVEGCSA-N
XLogP1.24
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 34406151) is 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN([C@@H]2CCOC2=O)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is FDURSTWPPZLLOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N4O4/c17-10-11-15(24-14(18-11)13-2-1-8-22-13)20-6-4-19(5-7-20)12-3-9-23-16(12)21/h1-2,8,12H,3-7,9H2/t12-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 328.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34406151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).