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

C23H20N6O3 — CID 55625659

IUPAC5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ccc(N2CCC(N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2=O)cc1
InChIInChI=1S/C23H20N6O3/c24-14-16-3-5-17(6-4-16)29-8-7-19(22(29)30)27-9-11-28(12-10-27)23-18(15-25)26-21(32-23)20-2-1-13-31-20/h1-6,13,19H,7-12H2
InChIKeyLWDJZKMPROHQMO-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.61
Rot. Bonds4

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

5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 55625659) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID55625659
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ccc(N2CCC(N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2=O)cc1
InChIInChI=1S/C23H20N6O3/c24-14-16-3-5-17(6-4-16)29-8-7-19(22(29)30)27-9-11-28(12-10-27)23-18(15-25)26-21(32-23)20-2-1-13-31-20/h1-6,13,19H,7-12H2
InChIKeyLWDJZKMPROHQMO-UHFFFAOYSA-N
XLogP2.61
TPSA113.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 55625659) is 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1ccc(N2CCC(N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2=O)cc1.
What is the InChIKey of 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is LWDJZKMPROHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c24-14-16-3-5-17(6-4-16)29-8-7-19(22(29)30)27-9-11-28(12-10-27)23-18(15-25)26-21(32-23)20-2-1-13-31-20/h1-6,13,19H,7-12H2.
What are the key properties of 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 428.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 55625659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).