3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H15FN2O3 — CID 16681859

IUPAC3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C13H15FN2O3/c1-18-6-5-15-13(17)12-8-11(16-19-12)9-3-2-4-10(14)7-9/h2-4,7,12H,5-6,8H2,1H3,(H,15,17)
InChIKeyULSQYSGNHZLCEP-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.08
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681859) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681859
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C13H15FN2O3/c1-18-6-5-15-13(17)12-8-11(16-19-12)9-3-2-4-10(14)7-9/h2-4,7,12H,5-6,8H2,1H3,(H,15,17)
InChIKeyULSQYSGNHZLCEP-UHFFFAOYSA-N
XLogP1.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681859) is 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COCCNC(=O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ULSQYSGNHZLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-18-6-5-15-13(17)12-8-11(16-19-12)9-3-2-4-10(14)7-9/h2-4,7,12H,5-6,8H2,1H3,(H,15,17).
What are the key properties of 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).