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

C18H26N4O3+2 — CID 9259409

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCc1cc(NC(=O)C[NH+]2CC[NH+](CCOc3ccccc3)CC2)no1
InChIInChI=1S/C18H24N4O3/c1-15-13-17(20-25-15)19-18(23)14-22-9-7-21(8-10-22)11-12-24-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)/p+2
InChIKeyVTMDWCBQZHAPAY-UHFFFAOYSA-P
MW346.43 g/mol
LogP-1.22
Rot. Bonds7

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9259409) has the molecular formula C18H26N4O3+2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID9259409
Molecular FormulaC18H26N4O3+2
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCc1cc(NC(=O)C[NH+]2CC[NH+](CCOc3ccccc3)CC2)no1
InChIInChI=1S/C18H24N4O3/c1-15-13-17(20-25-15)19-18(23)14-22-9-7-21(8-10-22)11-12-24-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)/p+2
InChIKeyVTMDWCBQZHAPAY-UHFFFAOYSA-P
XLogP-1.22
TPSA73.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549689
N-naphthalen-2-yl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259816
N-(2-ethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773213
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 9259831
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 9259161
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
N-(2,6-dimethylphenyl)-2-[4-[2-(4-propoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744648
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 8993872
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide (CID 9259409) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide is Cc1cc(NC(=O)C[NH+]2CC[NH+](CCOc3ccccc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is VTMDWCBQZHAPAY-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H24N4O3/c1-15-13-17(20-25-15)19-18(23)14-22-9-7-21(8-10-22)11-12-24-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)/p+2.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9259409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).