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

C15H19FN2O2 — CID 16681857

IUPAC3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)CCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-10(2)6-7-17-15(19)14-9-13(18-20-14)11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyJLRRJSJHJXICBJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.48
Rot. Bonds5

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

3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681857) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681857
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)CCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-10(2)6-7-17-15(19)14-9-13(18-20-14)11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyJLRRJSJHJXICBJ-UHFFFAOYSA-N
XLogP2.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681857) is 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)CCNC(=O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JLRRJSJHJXICBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)6-7-17-15(19)14-9-13(18-20-14)11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).