2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide

C11H11FN2O2 — CID 42647405

IUPAC2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESNC(=O)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H11FN2O2/c12-8-3-1-7(2-4-8)10-5-9(16-14-10)6-11(13)15/h1-4,9H,5-6H2,(H2,13,15)
InChIKeyKQSSQCJYNYZYDZ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.19
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide

2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 42647405) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
PubChem CID42647405
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESNC(=O)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H11FN2O2/c12-8-3-1-7(2-4-8)10-5-9(16-14-10)6-11(13)15/h1-4,9H,5-6H2,(H2,13,15)
InChIKeyKQSSQCJYNYZYDZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 42647405) is 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide is NC(=O)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The InChIKey is KQSSQCJYNYZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-8-3-1-7(2-4-8)10-5-9(16-14-10)6-11(13)15/h1-4,9H,5-6H2,(H2,13,15).
What are the key properties of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 222.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 42647405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).