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

C28H24N4O5 — CID 55731886

IUPAC[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H24N4O5/c29-18-22-27(37-26(30-22)23-12-7-17-35-23)32-15-13-31(14-16-32)24(33)19-36-28(34)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,25H,13-16,19H2
InChIKeyUXEQVOOBMMMJPW-UHFFFAOYSA-N
MW496.52 g/mol
LogP3.83
Rot. Bonds7

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

[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 55731886) has the molecular formula C28H24N4O5 and a molecular weight of 496.52 g/mol. Its IUPAC name is [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate
PubChem CID55731886
Molecular FormulaC28H24N4O5
Molecular Weight496.52 g/mol
Exact Mass496.17
IUPAC Name[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H24N4O5/c29-18-22-27(37-26(30-22)23-12-7-17-35-23)32-15-13-31(14-16-32)24(33)19-36-28(34)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,25H,13-16,19H2
InChIKeyUXEQVOOBMMMJPW-UHFFFAOYSA-N
XLogP3.83
TPSA112.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate with MolForge

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Launch Full Analysis

Related Compounds

[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55731536
[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-(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-[(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-[2-(3-methylphenyl)sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 52772436
2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 55631863
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-phenylacetamide
CID 46574018
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-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 78862509

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] 2,2-diphenylacetate?
The IUPAC name of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate (CID 55731886) is [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate is N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is UXEQVOOBMMMJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O5/c29-18-22-27(37-26(30-22)23-12-7-17-35-23)32-15-13-31(14-16-32)24(33)19-36-28(34)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,25H,13-16,19H2.
What are the key properties of [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate?
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 496.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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] 2,2-diphenylacetate is sourced from PubChem (CID 55731886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).