2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

C24H29N4O2+ — CID 9347106

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)C[NH+]3CCN(c4cccc(C)c4C)CC3)on2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-7-9-20(10-8-17)21-15-24(30-26-21)25-23(29)16-27-11-13-28(14-12-27)22-6-4-5-18(2)19(22)3/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)/p+1
InChIKeyQGSFCMYQYACJQP-UHFFFAOYSA-O
MW405.52 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 9347106) has the molecular formula C24H29N4O2+ and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID9347106
Molecular FormulaC24H29N4O2+
Molecular Weight405.52 g/mol
Exact Mass405.23
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)C[NH+]3CCN(c4cccc(C)c4C)CC3)on2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-7-9-20(10-8-17)21-15-24(30-26-21)25-23(29)16-27-11-13-28(14-12-27)22-6-4-5-18(2)19(22)3/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)/p+1
InChIKeyQGSFCMYQYACJQP-UHFFFAOYSA-O
XLogP2.61
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide with MolForge

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348035
N-(5-chloro-2-fluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582798
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 7517793
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346578
2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate
CID 42182596
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8726255
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582982
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348036
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582830
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 9028740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 9347106) is 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)C[NH+]3CCN(c4cccc(C)c4C)CC3)on2)cc1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is QGSFCMYQYACJQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N4O2/c1-17-7-9-20(10-8-17)21-15-24(30-26-21)25-23(29)16-27-11-13-28(14-12-27)22-6-4-5-18(2)19(22)3/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)/p+1.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 9347106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).