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

C24H21ClN4O2 — CID 16647362

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)c1
InChIInChI=1S/C24H21ClN4O2/c1-17-5-4-7-19(15-17)23(30)28-11-13-29(14-12-28)24-21(16-26)27-22(31-24)10-9-18-6-2-3-8-20(18)25/h2-10,15H,11-14H2,1H3/b10-9+
InChIKeyLTJGCVVUAJISKE-MDZDMXLPSA-N
MW432.91 g/mol
LogP4.64
Rot. Bonds4

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

2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 16647362) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID16647362
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)c1
InChIInChI=1S/C24H21ClN4O2/c1-17-5-4-7-19(15-17)23(30)28-11-13-29(14-12-28)24-21(16-26)27-22(31-24)10-9-18-6-2-3-8-20(18)25/h2-10,15H,11-14H2,1H3/b10-9+
InChIKeyLTJGCVVUAJISKE-MDZDMXLPSA-N
XLogP4.64
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647355
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647290
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647183
5-(4-benzoylpiperazin-1-yl)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647389
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647185
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647435
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-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647281
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 16647377
5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 42587303
5-[4-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 171336624
2-[2-(2-chlorophenyl)ethenyl]-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 171336647

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 16647362) is 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is Cc1cccc(C(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)c1.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is LTJGCVVUAJISKE-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-17-5-4-7-19(15-17)23(30)28-11-13-29(14-12-28)24-21(16-26)27-22(31-24)10-9-18-6-2-3-8-20(18)25/h2-10,15H,11-14H2,1H3/b10-9+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 432.91 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]-5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16647362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).