[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium

C21H24N3O2+ — CID 9287564

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)Cc2ncc(-c3ccccc3)o2)c1C
InChIInChI=1S/C21H23N3O2/c1-15-8-7-11-18(16(15)2)23-20(25)13-24(3)14-21-22-12-19(26-21)17-9-5-4-6-10-17/h4-12H,13-14H2,1-3H3,(H,23,25)/p+1
InChIKeyDHJLHTRWBGIQQH-UHFFFAOYSA-O
MW350.44 g/mol
LogP2.61
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium (PubChem CID 9287564) has the molecular formula C21H24N3O2+ and a molecular weight of 350.44 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium
PubChem CID9287564
Molecular FormulaC21H24N3O2+
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)Cc2ncc(-c3ccccc3)o2)c1C
InChIInChI=1S/C21H23N3O2/c1-15-8-7-11-18(16(15)2)23-20(25)13-24(3)14-21-22-12-19(26-21)17-9-5-4-6-10-17/h4-12H,13-14H2,1-3H3,(H,23,25)/p+1
InChIKeyDHJLHTRWBGIQQH-UHFFFAOYSA-O
XLogP2.61
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium with MolForge

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
CID 9038981
(4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9043228
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8710007
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8553185
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434136
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium
CID 9287448
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 9288051

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium (CID 9287564) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium is Cc1cccc(NC(=O)C[NH+](C)Cc2ncc(-c3ccccc3)o2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium?
The InChIKey is DHJLHTRWBGIQQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O2/c1-15-8-7-11-18(16(15)2)23-20(25)13-24(3)14-21-22-12-19(26-21)17-9-5-4-6-10-17/h4-12H,13-14H2,1-3H3,(H,23,25)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium has a molecular weight of 350.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium is sourced from PubChem (CID 9287564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).