2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide

C17H24N4O2+2 — CID 8993872

IUPAC2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
SMILESCc1cc(C[NH+]2CC[NH+](CC(=O)Nc3ccccc3)CC2)no1
InChIInChI=1S/C17H22N4O2/c1-14-11-16(19-23-14)12-20-7-9-21(10-8-20)13-17(22)18-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,18,22)/p+2
InChIKeyFLEVQTJYGGLPOV-UHFFFAOYSA-P
MW316.40 g/mol
LogP-1.09
Rot. Bonds5

About 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide

2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide (PubChem CID 8993872) has the molecular formula C17H24N4O2+2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
PubChem CID8993872
Molecular FormulaC17H24N4O2+2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
SMILESCc1cc(C[NH+]2CC[NH+](CC(=O)Nc3ccccc3)CC2)no1
InChIInChI=1S/C17H22N4O2/c1-14-11-16(19-23-14)12-20-7-9-21(10-8-20)13-17(22)18-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,18,22)/p+2
InChIKeyFLEVQTJYGGLPOV-UHFFFAOYSA-P
XLogP-1.09
TPSA64.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993924
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993891
N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994075
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993957
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-phenylpropyl)acetamide
CID 8994010
N-[(2-fluorophenyl)methyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994410
N-(4-chloro-2-fluorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993995
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
N-(1-adamantylmethyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994308
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994254
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259409
N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720462

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide (CID 8993872) is 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide is Cc1cc(C[NH+]2CC[NH+](CC(=O)Nc3ccccc3)CC2)no1.
What is the InChIKey of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide?
The InChIKey is FLEVQTJYGGLPOV-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H22N4O2/c1-14-11-16(19-23-14)12-20-7-9-21(10-8-20)13-17(22)18-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,18,22)/p+2.
What are the key properties of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide?
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide has a molecular weight of 316.40 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide is sourced from PubChem (CID 8993872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).