[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

C23H26FN4O3+ — CID 9029424

IUPAC[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H25FN4O3/c1-27(16-23-25-14-21(31-23)17-2-4-18(24)5-3-17)15-22(29)26-19-6-8-20(9-7-19)28-10-12-30-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,26,29)/p+1
InChIKeyFSLYLADQKPMDAF-UHFFFAOYSA-O
MW425.48 g/mol
LogP1.97
Rot. Bonds7

About [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium (PubChem CID 9029424) has the molecular formula C23H26FN4O3+ and a molecular weight of 425.48 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
PubChem CID9029424
Molecular FormulaC23H26FN4O3+
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H25FN4O3/c1-27(16-23-25-14-21(31-23)17-2-4-18(24)5-3-17)15-22(29)26-19-6-8-20(9-7-19)28-10-12-30-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,26,29)/p+1
InChIKeyFSLYLADQKPMDAF-UHFFFAOYSA-O
XLogP1.97
TPSA72.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-methylazanium
CID 9038981
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702
methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592985
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
CID 9267796
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798077
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487313

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium (CID 9029424) is [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium is C[NH+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The InChIKey is FSLYLADQKPMDAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25FN4O3/c1-27(16-23-25-14-21(31-23)17-2-4-18(24)5-3-17)15-22(29)26-19-6-8-20(9-7-19)28-10-12-30-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,26,29)/p+1.
What are the key properties of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium has a molecular weight of 425.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9029424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).