2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium

C17H31N4O3+ — CID 7283650

IUPAC2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium
SMILESCCCC[C@H](CC)C(=O)N(CC[NH+](C)C)CC(=O)Nc1ccon1
InChIInChI=1S/C17H30N4O3/c1-5-7-8-14(6-2)17(23)21(11-10-20(3)4)13-16(22)18-15-9-12-24-19-15/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,18,19,22)/p+1/t14-/m0/s1
InChIKeyDZGWYLGGOKYWLA-AWEZNQCLSA-O
MW339.46 g/mol
LogP0.80
Rot. Bonds11

About 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium

2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium (PubChem CID 7283650) has the molecular formula C17H31N4O3+ and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium
PubChem CID7283650
Molecular FormulaC17H31N4O3+
Molecular Weight339.46 g/mol
Exact Mass339.24
IUPAC Name2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium
SMILESCCCC[C@H](CC)C(=O)N(CC[NH+](C)C)CC(=O)Nc1ccon1
InChIInChI=1S/C17H30N4O3/c1-5-7-8-14(6-2)17(23)21(11-10-20(3)4)13-16(22)18-15-9-12-24-19-15/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,18,19,22)/p+1/t14-/m0/s1
InChIKeyDZGWYLGGOKYWLA-AWEZNQCLSA-O
XLogP0.80
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium
CID 7411294
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 7258953
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)hexanamide
CID 7258952
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
4-hexyl-N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087378

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium (CID 7283650) is 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium is CCCC[C@H](CC)C(=O)N(CC[NH+](C)C)CC(=O)Nc1ccon1.
What is the InChIKey of 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium?
The InChIKey is DZGWYLGGOKYWLA-AWEZNQCLSA-O. The full InChI is InChI=1S/C17H30N4O3/c1-5-7-8-14(6-2)17(23)21(11-10-20(3)4)13-16(22)18-15-9-12-24-19-15/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,18,19,22)/p+1/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium?
2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium has a molecular weight of 339.46 g/mol, XLogP of 0.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7283650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).