2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C24H20ClFN4O3 — CID 16647377

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)COc2ccccc2F)CC1
InChIInChI=1S/C24H20ClFN4O3/c25-18-6-2-1-5-17(18)9-10-22-28-20(15-27)24(33-22)30-13-11-29(12-14-30)23(31)16-32-21-8-4-3-7-19(21)26/h1-10H,11-14,16H2/b10-9+
InChIKeyLFNNJTWHJXNJRP-MDZDMXLPSA-N
MW466.90 g/mol
LogP4.24
Rot. Bonds6

About 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647377) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID16647377
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)COc2ccccc2F)CC1
InChIInChI=1S/C24H20ClFN4O3/c25-18-6-2-1-5-17(18)9-10-22-28-20(15-27)24(33-22)30-13-11-29(12-14-30)23(31)16-32-21-8-4-3-7-19(21)26/h1-10H,11-14,16H2/b10-9+
InChIKeyLFNNJTWHJXNJRP-MDZDMXLPSA-N
XLogP4.24
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647305
5-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647635
2-[2-(2-chlorophenyl)ethenyl]-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 171336647
5-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647312
5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647663
5-(4-butanoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647423
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647362
5-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647622
5-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647304
5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647251
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647389
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647433

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 16647377) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)COc2ccccc2F)CC1.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is LFNNJTWHJXNJRP-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c25-18-6-2-1-5-17(18)9-10-22-28-20(15-27)24(33-22)30-13-11-29(12-14-30)23(31)16-32-21-8-4-3-7-19(21)26/h1-10H,11-14,16H2/b10-9+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 466.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).