benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium

C20H22N3O2+ — CID 9346071

IUPACbenzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(-c2cc(NC(=O)C[NH+](C)Cc3ccccc3)on2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-8-10-17(11-9-15)18-12-20(25-22-18)21-19(24)14-23(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,21,24)/p+1
InChIKeyNZCZGXMYBHBPAJ-UHFFFAOYSA-O
MW336.42 g/mol
LogP2.30
Rot. Bonds6

About benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium

benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium (PubChem CID 9346071) has the molecular formula C20H22N3O2+ and a molecular weight of 336.42 g/mol. Its IUPAC name is benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
PubChem CID9346071
Molecular FormulaC20H22N3O2+
Molecular Weight336.42 g/mol
Exact Mass336.17
IUPAC Namebenzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
SMILESCc1ccc(-c2cc(NC(=O)C[NH+](C)Cc3ccccc3)on2)cc1
InChIInChI=1S/C20H21N3O2/c1-15-8-10-17(11-9-15)18-12-20(25-22-18)21-19(24)14-23(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,21,24)/p+1
InChIKeyNZCZGXMYBHBPAJ-UHFFFAOYSA-O
XLogP2.30
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7594665
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 9345947
[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
CID 9348062
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 2082606
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9348413
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125694
[2-(3-bromoanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024743

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
The IUPAC name of benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium (CID 9346071) is benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
The canonical SMILES for benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium is Cc1ccc(-c2cc(NC(=O)C[NH+](C)Cc3ccccc3)on2)cc1.
What is the InChIKey of benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
The InChIKey is NZCZGXMYBHBPAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O2/c1-15-8-10-17(11-9-15)18-12-20(25-22-18)21-19(24)14-23(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,21,24)/p+1.
What are the key properties of benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium has a molecular weight of 336.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9346071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).