2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide

C15H11FN2O3 — CID 39347761

IUPAC2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(-c3ccc(F)cc3)noc2c1
InChIInChI=1S/C15H11FN2O3/c16-10-3-1-9(2-4-10)15-12-6-5-11(20-8-14(17)19)7-13(12)21-18-15/h1-7H,8H2,(H2,17,19)
InChIKeyIUZNRLRAEQIZNE-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.50
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide

2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide (PubChem CID 39347761) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide
PubChem CID39347761
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(-c3ccc(F)cc3)noc2c1
InChIInChI=1S/C15H11FN2O3/c16-10-3-1-9(2-4-10)15-12-6-5-11(20-8-14(17)19)7-13(12)21-18-15/h1-7H,8H2,(H2,17,19)
InChIKeyIUZNRLRAEQIZNE-UHFFFAOYSA-N
XLogP2.50
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 14012526
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[[3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 13015739
2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1253105
ethyl 2-[[3-(2,6-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 54100658
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678876
6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-3-(4-fluorophenyl)-1,2-benzoxazole
CID 39352056
3-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]benzoic acid;4-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]benzoic acid;3-[6-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]benzoic acid
CID 160647810
4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
CID 82105934
5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
CID 18357602
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
3-[2-(2-methylpropoxy)-5-[6-(2-methylpropoxy)-1,2-benzoxazol-3-yl]phenyl]propanoic acid
CID 72705685

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide (CID 39347761) is 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide is NC(=O)COc1ccc2c(-c3ccc(F)cc3)noc2c1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide?
The InChIKey is IUZNRLRAEQIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-10-3-1-9(2-4-10)15-12-6-5-11(20-8-14(17)19)7-13(12)21-18-15/h1-7H,8H2,(H2,17,19).
What are the key properties of 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide?
2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide has a molecular weight of 286.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide is sourced from PubChem (CID 39347761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).