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

C17H15FN2O3 — CID 110711850

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H15FN2O3/c18-12-5-1-3-7-14(12)22-11-16(21)19-10-9-17-20-13-6-2-4-8-15(13)23-17/h1-8H,9-11H2,(H,19,21)
InChIKeyXJSLBBQWOLLBIR-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.70
Rot. Bonds6

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 110711850) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID110711850
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCCc1nc2ccccc2o1
InChIInChI=1S/C17H15FN2O3/c18-12-5-1-3-7-14(12)22-11-16(21)19-10-9-17-20-13-6-2-4-8-15(13)23-17/h1-8H,9-11H2,(H,19,21)
InChIKeyXJSLBBQWOLLBIR-UHFFFAOYSA-N
XLogP2.70
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511680
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 90618902
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110792411
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 51098959
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
CID 110711791

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide (CID 110711850) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCCc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is XJSLBBQWOLLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-12-5-1-3-7-14(12)22-11-16(21)19-10-9-17-20-13-6-2-4-8-15(13)23-17/h1-8H,9-11H2,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 110711850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).