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

C19H28N4O3+2 — CID 8993957

IUPACN-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2cc(C)on2)CC1
InChIInChI=1S/C19H26N4O3/c1-3-25-18-7-5-4-6-17(18)20-19(24)14-23-10-8-22(9-11-23)13-16-12-15(2)26-21-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,20,24)/p+2
InChIKeySGSOEIFSATYVLC-UHFFFAOYSA-P
MW360.46 g/mol
LogP-0.70
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8993957) has the molecular formula C19H28N4O3+2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID8993957
Molecular FormulaC19H28N4O3+2
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2cc(C)on2)CC1
InChIInChI=1S/C19H26N4O3/c1-3-25-18-7-5-4-6-17(18)20-19(24)14-23-10-8-22(9-11-23)13-16-12-15(2)26-21-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,20,24)/p+2
InChIKeySGSOEIFSATYVLC-UHFFFAOYSA-P
XLogP-0.70
TPSA73.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 8993872
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 9435138
N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8721026
N-(4-chloro-2-fluorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993995
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
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
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8994408
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 5004457

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 8993957) is N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is CCOc1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2cc(C)on2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is SGSOEIFSATYVLC-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H26N4O3/c1-3-25-18-7-5-4-6-17(18)20-19(24)14-23-10-8-22(9-11-23)13-16-12-15(2)26-21-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,20,24)/p+2.
What are the key properties of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8993957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).