[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium

C19H22N3O2+ — CID 8938300

IUPAC[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-22(2)13-17(14-8-4-3-5-9-14)20-19(23)12-16-15-10-6-7-11-18(15)24-21-16/h3-11,17H,12-13H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1
InChIKeyLAZPPZNSADYZKQ-QGZVFWFLSA-O
MW324.40 g/mol
LogP1.37
Rot. Bonds6

About [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium

[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium (PubChem CID 8938300) has the molecular formula C19H22N3O2+ and a molecular weight of 324.40 g/mol. Its IUPAC name is [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
PubChem CID8938300
Molecular FormulaC19H22N3O2+
Molecular Weight324.40 g/mol
Exact Mass324.17
IUPAC Name[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
SMILESC[NH+](C)C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-22(2)13-17(14-8-4-3-5-9-14)20-19(23)12-16-15-10-6-7-11-18(15)24-21-16/h3-11,17H,12-13H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1
InChIKeyLAZPPZNSADYZKQ-QGZVFWFLSA-O
XLogP1.37
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
propan-2-yl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 51257037
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985731
[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 55404714
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144929
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43082127
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
CID 9152218
methyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46637103

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium?
The IUPAC name of [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium (CID 8938300) is [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium?
The canonical SMILES for [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium is C[NH+](C)C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccccc1.
What is the InChIKey of [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium?
The InChIKey is LAZPPZNSADYZKQ-QGZVFWFLSA-O. The full InChI is InChI=1S/C19H21N3O2/c1-22(2)13-17(14-8-4-3-5-9-14)20-19(23)12-16-15-10-6-7-11-18(15)24-21-16/h3-11,17H,12-13H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1.
What are the key properties of [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium?
[(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium has a molecular weight of 324.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8938300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).