2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide

C9H7FN2O3 — CID 11680081

IUPAC2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESNC(=O)Cn1c(=O)oc2cc(F)ccc21
InChIInChI=1S/C9H7FN2O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKeyTUUABNYCARPDFG-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.22
Rot. Bonds2

About 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide

2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 11680081) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID11680081
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESNC(=O)Cn1c(=O)oc2cc(F)ccc21
InChIInChI=1S/C9H7FN2O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKeyTUUABNYCARPDFG-UHFFFAOYSA-N
XLogP0.22
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
CID 59333208
2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 118382706
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 11723196
N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986142
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977
6-bromo-3-[(4-fluorophenyl)sulfanylmethyl]-1,3-benzoxazol-2-one
CID 23908562
ethyl 2-[6-[(2,4-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 126457215

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 11680081) is 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide is NC(=O)Cn1c(=O)oc2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is TUUABNYCARPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4H2,(H2,11,13).
What are the key properties of 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 210.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 11680081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).