[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate

C20H19FN2O4 — CID 8511680

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
SMILESO=C(COC(=O)CCc1nc2ccccc2o1)NCCc1ccccc1F
InChIInChI=1S/C20H19FN2O4/c21-15-6-2-1-5-14(15)11-12-22-18(24)13-26-20(25)10-9-19-23-16-7-3-4-8-17(16)27-19/h1-8H,9-13H2,(H,22,24)
InChIKeyLTFGUXFQGHTJKD-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.80
Rot. Bonds8

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate (PubChem CID 8511680) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
PubChem CID8511680
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
SMILESO=C(COC(=O)CCc1nc2ccccc2o1)NCCc1ccccc1F
InChIInChI=1S/C20H19FN2O4/c21-15-6-2-1-5-14(15)11-12-22-18(24)13-26-20(25)10-9-19-23-16-7-3-4-8-17(16)27-19/h1-8H,9-13H2,(H,22,24)
InChIKeyLTFGUXFQGHTJKD-UHFFFAOYSA-N
XLogP2.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511705
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
3-(1,3-benzoxazol-2-yl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 9428837
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 8632669
tert-butyl 3-(1,3-benzoxazol-2-yl)propanoate
CID 10263988
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647671

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate (CID 8511680) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate is O=C(COC(=O)CCc1nc2ccccc2o1)NCCc1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate?
The InChIKey is LTFGUXFQGHTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c21-15-6-2-1-5-14(15)11-12-22-18(24)13-26-20(25)10-9-19-23-16-7-3-4-8-17(16)27-19/h1-8H,9-13H2,(H,22,24).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate has a molecular weight of 370.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate is sourced from PubChem (CID 8511680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).