2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C16H13FN2O4 — CID 110662032

IUPAC2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCn1c(=O)oc2ccc(NC(=O)COc3cccc(F)c3)cc21
InChIInChI=1S/C16H13FN2O4/c1-19-13-8-11(5-6-14(13)23-16(19)21)18-15(20)9-22-12-4-2-3-10(17)7-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBNGXLUZOABDFDD-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.29
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110662032) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID110662032
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCn1c(=O)oc2ccc(NC(=O)COc3cccc(F)c3)cc21
InChIInChI=1S/C16H13FN2O4/c1-19-13-8-11(5-6-14(13)23-16(19)21)18-15(20)9-22-12-4-2-3-10(17)7-12/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBNGXLUZOABDFDD-UHFFFAOYSA-N
XLogP2.29
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 38466500
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(4-fluorophenoxy)acetamide
CID 51128831
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(2-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110662188
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
2-(4-fluorophenoxy)-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110792282

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 110662032) is 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is Cn1c(=O)oc2ccc(NC(=O)COc3cccc(F)c3)cc21.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is BNGXLUZOABDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-19-13-8-11(5-6-14(13)23-16(19)21)18-15(20)9-22-12-4-2-3-10(17)7-12/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 316.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110662032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).