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

C16H12ClFN2O2 — CID 19491727

IUPACN-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H12ClFN2O2/c17-11-3-7-13(8-4-11)19-16(21)15-9-14(20-22-15)10-1-5-12(18)6-2-10/h1-8,15H,9H2,(H,19,21)
InChIKeyDGFLQXGTKQIEHG-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.61
Rot. Bonds3

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

N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19491727) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19491727
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC NameN-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H12ClFN2O2/c17-11-3-7-13(8-4-11)19-16(21)15-9-14(20-22-15)10-1-5-12(18)6-2-10/h1-8,15H,9H2,(H,19,21)
InChIKeyDGFLQXGTKQIEHG-UHFFFAOYSA-N
XLogP3.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19491727) is N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DGFLQXGTKQIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c17-11-3-7-13(8-4-11)19-16(21)15-9-14(20-22-15)10-1-5-12(18)6-2-10/h1-8,15H,9H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 318.74 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19491727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).