2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide

C18H16FN3O3 — CID 53180500

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCc1ccccn1
InChIInChI=1S/C18H16FN3O3/c19-14-6-4-13(5-7-14)16-11-22(18(24)25-16)12-17(23)21-10-8-15-3-1-2-9-20-15/h1-7,9,11H,8,10,12H2,(H,21,23)
InChIKeyZIHHVYPNBHYMFR-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.00
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 53180500) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID53180500
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCc1ccccn1
InChIInChI=1S/C18H16FN3O3/c19-14-6-4-13(5-7-14)16-11-22(18(24)25-16)12-17(23)21-10-8-15-3-1-2-9-20-15/h1-7,9,11H,8,10,12H2,(H,21,23)
InChIKeyZIHHVYPNBHYMFR-UHFFFAOYSA-N
XLogP2.00
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide (CID 53180500) is 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCc1ccccn1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is ZIHHVYPNBHYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-6-4-13(5-7-14)16-11-22(18(24)25-16)12-17(23)21-10-8-15-3-1-2-9-20-15/h1-7,9,11H,8,10,12H2,(H,21,23).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 53180500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).