[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium

C21H23FN3O2+ — CID 9038981

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H22FN3O2/c1-14-5-4-6-15(2)21(14)24-19(26)12-25(3)13-20-23-11-18(27-20)16-7-9-17(22)10-8-16/h4-11H,12-13H2,1-3H3,(H,24,26)/p+1
InChIKeyHGJFUXMTIXTSPV-UHFFFAOYSA-O
MW368.43 g/mol
LogP2.75
Rot. Bonds6

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium (PubChem CID 9038981) has the molecular formula C21H23FN3O2+ and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
PubChem CID9038981
Molecular FormulaC21H23FN3O2+
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H22FN3O2/c1-14-5-4-6-15(2)21(14)24-19(26)12-25(3)13-20-23-11-18(27-20)16-7-9-17(22)10-8-16/h4-11H,12-13H2,1-3H3,(H,24,26)/p+1
InChIKeyHGJFUXMTIXTSPV-UHFFFAOYSA-O
XLogP2.75
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium with MolForge

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium
CID 9287564
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 9029424
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
1,3-benzoxazol-2-ylmethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9347959
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 29499309
N-(2-ethyl-6-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356632
(4-bromophenyl)methyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
CID 8539583
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]-methylazanium
CID 9222181
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
CID 9435416

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium (CID 9038981) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium is Cc1cccc(C)c1NC(=O)C[NH+](C)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
The InChIKey is HGJFUXMTIXTSPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22FN3O2/c1-14-5-4-6-15(2)21(14)24-19(26)12-25(3)13-20-23-11-18(27-20)16-7-9-17(22)10-8-16/h4-11H,12-13H2,1-3H3,(H,24,26)/p+1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium has a molecular weight of 368.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium is sourced from PubChem (CID 9038981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).