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

C25H22N4O2 — CID 663839

IUPAC5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H22N4O2/c26-18-21-25(31-24(27-21)22-12-7-17-30-22)29-15-13-28(14-16-29)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,23H,13-16H2
InChIKeyOEZYRARCNMFUEU-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.72
Rot. Bonds5

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

5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 663839) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID663839
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H22N4O2/c26-18-21-25(31-24(27-21)22-12-7-17-30-22)29-15-13-28(14-16-29)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,23H,13-16H2
InChIKeyOEZYRARCNMFUEU-UHFFFAOYSA-N
XLogP4.72
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 663839) is 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is OEZYRARCNMFUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-18-21-25(31-24(27-21)22-12-7-17-30-22)29-15-13-28(14-16-29)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,23H,13-16H2.
What are the key properties of 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).