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

C21H16N6O4 — CID 112838886

IUPAC2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C21H16N6O4/c22-13-16-21(30-19(24-16)17-2-1-11-29-17)27-9-7-26(8-10-27)20(28)15-12-18(31-25-15)14-3-5-23-6-4-14/h1-6,11-12H,7-10H2
InChIKeyPUFNJIXOLAZOTJ-UHFFFAOYSA-N
MW416.40 g/mol
LogP2.82
Rot. Bonds4

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

2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 112838886) has the molecular formula C21H16N6O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID112838886
Molecular FormulaC21H16N6O4
Molecular Weight416.40 g/mol
Exact Mass416.12
IUPAC Name2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1
InChIInChI=1S/C21H16N6O4/c22-13-16-21(30-19(24-16)17-2-1-11-29-17)27-9-7-26(8-10-27)20(28)15-12-18(31-25-15)14-3-5-23-6-4-14/h1-6,11-12H,7-10H2
InChIKeyPUFNJIXOLAZOTJ-UHFFFAOYSA-N
XLogP2.82
TPSA125.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 172898408
5-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 46411552
2-(furan-2-yl)-5-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 86924526
2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
5-[4-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 172898399
5-[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618175
2-(furan-2-yl)-5-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 38495098
2-(furan-2-yl)-5-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55568817
2-(furan-2-yl)-5-[4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55617972
2-(furan-2-yl)-5-[4-[(E)-3-phenylbut-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 94654381
2-(4-chlorophenyl)-5-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6462696
2-(furan-2-yl)-5-[4-[2-(3-methylphenyl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 52772436

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 112838886) is 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is PUFNJIXOLAZOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O4/c22-13-16-21(30-19(24-16)17-2-1-11-29-17)27-9-7-26(8-10-27)20(28)15-12-18(31-25-15)14-3-5-23-6-4-14/h1-6,11-12H,7-10H2.
What are the key properties of 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 416.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 112838886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).