N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C23H24FN3O3 — CID 51118106

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCC1CN(c2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2F)CC(C)O1
InChIInChI=1S/C23H24FN3O3/c1-15-12-27(13-16(2)30-15)21-9-8-18(10-20(21)24)25-22(28)11-19-14-29-23(26-19)17-6-4-3-5-7-17/h3-10,14-16H,11-13H2,1-2H3,(H,25,28)
InChIKeyJTJXOSXUONMDSA-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.28
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 51118106) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID51118106
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCC1CN(c2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2F)CC(C)O1
InChIInChI=1S/C23H24FN3O3/c1-15-12-27(13-16(2)30-15)21-9-8-18(10-20(21)24)25-22(28)11-19-14-29-23(26-19)17-6-4-3-5-7-17/h3-10,14-16H,11-13H2,1-2H3,(H,25,28)
InChIKeyJTJXOSXUONMDSA-UHFFFAOYSA-N
XLogP4.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 51118106) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CC1CN(c2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2F)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is JTJXOSXUONMDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-12-27(13-16(2)30-15)21-9-8-18(10-20(21)24)25-22(28)11-19-14-29-23(26-19)17-6-4-3-5-7-17/h3-10,14-16H,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 409.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 51118106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).