2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole

C24H27N3O — CID 56665694

IUPAC2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)co1
InChIInChI=1S/C24H27N3O/c1-20-8-5-6-12-23(20)24-25-22(19-28-24)18-27-16-14-26(15-17-27)13-7-11-21-9-3-2-4-10-21/h2-12,19H,13-18H2,1H3/b11-7+
InChIKeyBJRCLJSYOYZJDX-YRNVUSSQSA-N
MW373.50 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole

2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 56665694) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID56665694
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)co1
InChIInChI=1S/C24H27N3O/c1-20-8-5-6-12-23(20)24-25-22(19-28-24)18-27-16-14-26(15-17-27)13-7-11-21-9-3-2-4-10-21/h2-12,19H,13-18H2,1H3/b11-7+
InChIKeyBJRCLJSYOYZJDX-YRNVUSSQSA-N
XLogP4.48
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
CID 56675974
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675742
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
[2-(2-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 55255073
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]naphthalen-1-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68694569
4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 51076546
1-[[3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methoxyphenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91079939
2-methylsulfanyl-6-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 74227141
4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-bromophenyl)-1,3-oxazole
CID 56658643
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole (CID 56665694) is 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole is Cc1ccccc1-c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)co1.
What is the InChIKey of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is BJRCLJSYOYZJDX-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H27N3O/c1-20-8-5-6-12-23(20)24-25-22(19-28-24)18-27-16-14-26(15-17-27)13-7-11-21-9-3-2-4-10-21/h2-12,19H,13-18H2,1H3/b11-7+.
What are the key properties of 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole?
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 373.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 56665694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).