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

C17H15FN2O2 — CID 17095771

IUPAC3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(c2ccc(F)cc2)=NO1)c1ccccc1
InChIInChI=1S/C17H15FN2O2/c1-20(14-5-3-2-4-6-14)17(21)16-11-15(19-22-16)12-7-9-13(18)10-8-12/h2-10,16H,11H2,1H3
InChIKeyBLUVQCHLSZBTIE-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.98
Rot. Bonds3

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

3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095771) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095771
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)C1CC(c2ccc(F)cc2)=NO1)c1ccccc1
InChIInChI=1S/C17H15FN2O2/c1-20(14-5-3-2-4-6-14)17(21)16-11-15(19-22-16)12-7-9-13(18)10-8-12/h2-10,16H,11H2,1H3
InChIKeyBLUVQCHLSZBTIE-UHFFFAOYSA-N
XLogP2.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095771) is 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(C(=O)C1CC(c2ccc(F)cc2)=NO1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BLUVQCHLSZBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20(14-5-3-2-4-6-14)17(21)16-11-15(19-22-16)12-7-9-13(18)10-8-12/h2-10,16H,11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).