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

C19H16N4O3S — CID 16647618

IUPAC5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H16N4O3S/c20-13-15-19(26-17(21-15)6-5-14-3-2-12-27-14)23-9-7-22(8-10-23)18(24)16-4-1-11-25-16/h1-6,11-12H,7-10H2/b6-5+
InChIKeyJGIJVBLNONYJRS-AATRIKPKSA-N
MW380.43 g/mol
LogP3.33
Rot. Bonds4

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

5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647618) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID16647618
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H16N4O3S/c20-13-15-19(26-17(21-15)6-5-14-3-2-12-27-14)23-9-7-22(8-10-23)18(24)16-4-1-11-25-16/h1-6,11-12H,7-10H2/b6-5+
InChIKeyJGIJVBLNONYJRS-AATRIKPKSA-N
XLogP3.33
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661062
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 892396
5-(2,6-Dimethylmorpholin-4-yl)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661188
5-(Furan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 892464
5-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 6462159
5-(4-(Furan-2-carbonyl)piperazin-1-yl)-2-(thiophen-2-yl)oxazole-4-carbonitrile
CID 6462909
(E)-5-(4-(4-ethoxybenzoyl)piperazin-1-yl)-2-(2-(thiophen-2-yl)vinyl)oxazole-4-carbonitrile
CID 16647631
(2-Furyl)(4-{[4-(2-thienyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)methanone
CID 30860620
2-[2-(4-Ethoxyphenyl)ethenyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 72166785
5-Piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 892069
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 940272
2-(Furan-2-yl)-5-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 45814548

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile (CID 16647618) is 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is JGIJVBLNONYJRS-AATRIKPKSA-N. The full InChI is InChI=1S/C19H16N4O3S/c20-13-15-19(26-17(21-15)6-5-14-3-2-12-27-14)23-9-7-22(8-10-23)18(24)16-4-1-11-25-16/h1-6,11-12H,7-10H2/b6-5+.
What are the key properties of 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile?
5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 380.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).