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

C17H14FN3O3 — CID 87051704

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCc1ccccn1
InChIInChI=1S/C17H14FN3O3/c18-13-6-4-12(5-7-13)15-10-21(17(23)24-15)11-16(22)20-9-14-3-1-2-8-19-14/h1-8,10H,9,11H2,(H,20,22)
InChIKeyNGFOHIYZSCRYHB-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.96
Rot. Bonds5

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

2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 87051704) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID87051704
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCc1ccccn1
InChIInChI=1S/C17H14FN3O3/c18-13-6-4-12(5-7-13)15-10-21(17(23)24-15)11-16(22)20-9-14-3-1-2-8-19-14/h1-8,10H,9,11H2,(H,20,22)
InChIKeyNGFOHIYZSCRYHB-UHFFFAOYSA-N
XLogP1.96
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.96
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-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 87051704) is 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCc1ccccn1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NGFOHIYZSCRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-13-6-4-12(5-7-13)15-10-21(17(23)24-15)11-16(22)20-9-14-3-1-2-8-19-14/h1-8,10H,9,11H2,(H,20,22).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 1.96, 5 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 87051704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).