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

C25H26N4O5 — CID 55829909

IUPAC5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCOc1cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC1CCCC1
InChIInChI=1S/C25H26N4O5/c1-31-22-15-17(8-9-20(22)33-18-5-2-3-6-18)24(30)28-10-12-29(13-11-28)25-19(16-26)27-23(34-25)21-7-4-14-32-21/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3
InChIKeyOFKORIGVMCMELB-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.10
Rot. Bonds6

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

5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 55829909) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID55829909
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCOc1cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC1CCCC1
InChIInChI=1S/C25H26N4O5/c1-31-22-15-17(8-9-20(22)33-18-5-2-3-6-18)24(30)28-10-12-29(13-11-28)25-19(16-26)27-23(34-25)21-7-4-14-32-21/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3
InChIKeyOFKORIGVMCMELB-UHFFFAOYSA-N
XLogP4.10
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile with MolForge

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Related Compounds

2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
2-(furan-2-yl)-5-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 86924526
5-[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618175
[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
methyl 4-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzoate
CID 55609286
5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618041
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-[(E)-3-phenylbut-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 94654381
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 42587110
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
[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55731536
N-[1-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55617966

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 55829909) is 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is COc1cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC1CCCC1.
What is the InChIKey of 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is OFKORIGVMCMELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-31-22-15-17(8-9-20(22)33-18-5-2-3-6-18)24(30)28-10-12-29(13-11-28)25-19(16-26)27-23(34-25)21-7-4-14-32-21/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3.
What are the key properties of 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 462.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopentyloxy-3-methoxybenzoyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 55829909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).