[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C23H22N4O6 — CID 55731536

IUPAC[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
InChIInChI=1S/C23H22N4O6/c1-30-17-6-4-16(5-7-17)13-21(29)32-15-20(28)26-8-10-27(11-9-26)23-18(14-24)25-22(33-23)19-3-2-12-31-19/h2-7,12H,8-11,13,15H2,1H3
InChIKeyFCHKAEIMCMBGPY-UHFFFAOYSA-N
MW450.45 g/mol
LogP2.25
Rot. Bonds7

About [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 55731536) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID55731536
Molecular FormulaC23H22N4O6
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
InChIInChI=1S/C23H22N4O6/c1-30-17-6-4-16(5-7-17)13-21(29)32-15-20(28)26-8-10-27(11-9-26)23-18(14-24)25-22(33-23)19-3-2-12-31-19/h2-7,12H,8-11,13,15H2,1H3
InChIKeyFCHKAEIMCMBGPY-UHFFFAOYSA-N
XLogP2.25
TPSA122.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 55731631
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate
CID 55731886
2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
5-[4-[4-cyano-2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1,3-oxazol-5-yl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 163347325
methyl 4-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzoate
CID 55609286
2-(furan-2-yl)-5-[4-[2-(3-methylphenyl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 52772436
2-(furan-2-yl)-5-[4-[(E)-3-phenylbut-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 94654381
5-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618232
N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 30891778
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-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 86924526
4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 78888422

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 55731536) is [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1.
What is the InChIKey of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is FCHKAEIMCMBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-30-17-6-4-16(5-7-17)13-21(29)32-15-20(28)26-8-10-27(11-9-26)23-18(14-24)25-22(33-23)19-3-2-12-31-19/h2-7,12H,8-11,13,15H2,1H3.
What are the key properties of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 450.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 55731536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).