N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide

C17H15FN2O2 — CID 110707405

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCCc1ccc2ocnc2c1
InChIInChI=1S/C17H15FN2O2/c18-14-4-2-1-3-13(14)10-17(21)19-8-7-12-5-6-16-15(9-12)20-11-22-16/h1-6,9,11H,7-8,10H2,(H,19,21)
InChIKeyOESPHEKKMMEOPJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 110707405) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID110707405
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCCc1ccc2ocnc2c1
InChIInChI=1S/C17H15FN2O2/c18-14-4-2-1-3-13(14)10-17(21)19-8-7-12-5-6-16-15(9-12)20-11-22-16/h1-6,9,11H,7-8,10H2,(H,19,21)
InChIKeyOESPHEKKMMEOPJ-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-fluorobenzamide
CID 110707351
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765045
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110707373
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide (CID 110707405) is N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NCCc1ccc2ocnc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is OESPHEKKMMEOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-4-2-1-3-13(14)10-17(21)19-8-7-12-5-6-16-15(9-12)20-11-22-16/h1-6,9,11H,7-8,10H2,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110707405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).