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

C17H15FN2O2 — CID 4900663

IUPACN-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H15FN2O2/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,21)
InChIKeyNNEYIMQMZCTDGA-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.64
Rot. Bonds4

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

N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 4900663) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID4900663
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H15FN2O2/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,21)
InChIKeyNNEYIMQMZCTDGA-UHFFFAOYSA-N
XLogP2.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 4900663) is N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NNEYIMQMZCTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,21).
What are the key properties of N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 4900663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).