[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

C18H26N3O3+ — CID 8754882

IUPAC[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESC[NH+](CCOc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)15-12-17(24-20-15)19-16(22)13-21(4)10-11-23-14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3,(H,19,22)/p+1
InChIKeyYVJIAHRYOQSYLE-UHFFFAOYSA-O
MW332.42 g/mol
LogP1.50
Rot. Bonds7

About [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (PubChem CID 8754882) has the molecular formula C18H26N3O3+ and a molecular weight of 332.42 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
PubChem CID8754882
Molecular FormulaC18H26N3O3+
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
SMILESC[NH+](CCOc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)15-12-17(24-20-15)19-16(22)13-21(4)10-11-23-14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3,(H,19,22)/p+1
InChIKeyYVJIAHRYOQSYLE-UHFFFAOYSA-O
XLogP1.50
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium with MolForge

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Launch Full Analysis

Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549689
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125694
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797774
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
[2-(4-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797849
methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-(2-phenoxyethyl)azanium
CID 9197464
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium (CID 8754882) is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The canonical SMILES for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is C[NH+](CCOc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)no1.
What is the InChIKey of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
The InChIKey is YVJIAHRYOQSYLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)15-12-17(24-20-15)19-16(22)13-21(4)10-11-23-14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3,(H,19,22)/p+1.
What are the key properties of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium?
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium has a molecular weight of 332.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 8754882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).