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

C24H24N4O7 — CID 55731631

IUPAC[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC
InChIInChI=1S/C24H24N4O7/c1-31-18-6-5-16(12-20(18)32-2)13-22(30)34-15-21(29)27-7-9-28(10-8-27)24-17(14-25)26-23(35-24)19-4-3-11-33-19/h3-6,11-12H,7-10,13,15H2,1-2H3
InChIKeyPDZIWJNOHCNENF-UHFFFAOYSA-N
MW480.48 g/mol
LogP2.26
Rot. Bonds8

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

[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 55731631) has the molecular formula C24H24N4O7 and a molecular weight of 480.48 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-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID55731631
Molecular FormulaC24H24N4O7
Molecular Weight480.48 g/mol
Exact Mass480.16
IUPAC Name[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC
InChIInChI=1S/C24H24N4O7/c1-31-18-6-5-16(12-20(18)32-2)13-22(30)34-15-21(29)27-7-9-28(10-8-27)24-17(14-25)26-23(35-24)19-4-3-11-33-19/h3-6,11-12H,7-10,13,15H2,1-2H3
InChIKeyPDZIWJNOHCNENF-UHFFFAOYSA-N
XLogP2.26
TPSA131.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [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) is [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC.
What is the InChIKey of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is PDZIWJNOHCNENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O7/c1-31-18-6-5-16(12-20(18)32-2)13-22(30)34-15-21(29)27-7-9-28(10-8-27)24-17(14-25)26-23(35-24)19-4-3-11-33-19/h3-6,11-12H,7-10,13,15H2,1-2H3.
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-(3,4-dimethoxyphenyl)acetate?
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 480.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 10 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-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 55731631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).