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

C12H13FN2O2 — CID 15462730

IUPACN-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C12H13FN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,16)
InChIKeyMOKZUZZOQGBXDF-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.45
Rot. Bonds3

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

N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 15462730) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID15462730
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C12H13FN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,16)
InChIKeyMOKZUZZOQGBXDF-UHFFFAOYSA-N
XLogP1.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 15462730) is N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is MOKZUZZOQGBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 236.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 15462730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).