diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium

C20H37N4O3+ — CID 7331089

IUPACdiethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
SMILESCCCCC(=O)N(CC(=O)Nc1cc(C)on1)[C@@H](C)CCC[NH+](CC)CC
InChIInChI=1S/C20H36N4O3/c1-6-9-12-20(26)24(16(4)11-10-13-23(7-2)8-3)15-19(25)21-18-14-17(5)27-22-18/h14,16H,6-13,15H2,1-5H3,(H,21,22,25)/p+1/t16-/m0/s1
InChIKeyJRHYCKNZLIZHOB-INIZCTEOSA-O
MW381.54 g/mol
LogP2.03
Rot. Bonds13

About diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium

diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium (PubChem CID 7331089) has the molecular formula C20H37N4O3+ and a molecular weight of 381.54 g/mol. Its IUPAC name is diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
PubChem CID7331089
Molecular FormulaC20H37N4O3+
Molecular Weight381.54 g/mol
Exact Mass381.29
IUPAC Namediethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
SMILESCCCCC(=O)N(CC(=O)Nc1cc(C)on1)[C@@H](C)CCC[NH+](CC)CC
InChIInChI=1S/C20H36N4O3/c1-6-9-12-20(26)24(16(4)11-10-13-23(7-2)8-3)15-19(25)21-18-14-17(5)27-22-18/h14,16H,6-13,15H2,1-5H3,(H,21,22,25)/p+1/t16-/m0/s1
InChIKeyJRHYCKNZLIZHOB-INIZCTEOSA-O
XLogP2.03
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium with MolForge

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Related Compounds

[(4R)-4-[3-cyclopentylpropanoyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]-diethylazanium
CID 7495346
diethyl-[(4R)-4-[(4-ethylbenzoyl)-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]pentyl]azanium
CID 7396526
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
CID 5168715
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
CID 5168710
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040
2-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4054313
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355

Frequently Asked Questions

What is the IUPAC name of diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium?
The IUPAC name of diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium (CID 7331089) is diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium?
The canonical SMILES for diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium is CCCCC(=O)N(CC(=O)Nc1cc(C)on1)[C@@H](C)CCC[NH+](CC)CC.
What is the InChIKey of diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium?
The InChIKey is JRHYCKNZLIZHOB-INIZCTEOSA-O. The full InChI is InChI=1S/C20H36N4O3/c1-6-9-12-20(26)24(16(4)11-10-13-23(7-2)8-3)15-19(25)21-18-14-17(5)27-22-18/h14,16H,6-13,15H2,1-5H3,(H,21,22,25)/p+1/t16-/m0/s1.
What are the key properties of diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium?
diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium has a molecular weight of 381.54 g/mol, XLogP of 2.03, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium is sourced from PubChem (CID 7331089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).