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

C17H15FN2O2 — CID 53017004

IUPACN-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccccc2F)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15FN2O2/c1-17(16(21)19-14-10-6-5-9-13(14)18)11-15(20-22-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,21)
InChIKeyBZMBWQVOZHORIE-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.35
Rot. Bonds3

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

N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 53017004) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID53017004
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccccc2F)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15FN2O2/c1-17(16(21)19-14-10-6-5-9-13(14)18)11-15(20-22-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,21)
InChIKeyBZMBWQVOZHORIE-UHFFFAOYSA-N
XLogP3.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 53017004) is N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)Nc2ccccc2F)CC(c2ccccc2)=NO1.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is BZMBWQVOZHORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-17(16(21)19-14-10-6-5-9-13(14)18)11-15(20-22-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 53017004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).