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

C19H19FN2O2 — CID 52689316

IUPAC(5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESC[C@H](c1ccc(F)cc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19FN2O2/c1-13(14-8-10-16(20)11-9-14)22(2)19(23)17-12-18(24-21-17)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyHUKVGGMYOWIFHL-FZKQIMNGSA-N
MW326.37 g/mol
LogP3.86
Rot. Bonds4

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

(5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 52689316) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID52689316
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESC[C@H](c1ccc(F)cc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19FN2O2/c1-13(14-8-10-16(20)11-9-14)22(2)19(23)17-12-18(24-21-17)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyHUKVGGMYOWIFHL-FZKQIMNGSA-N
XLogP3.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 52689316) is (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is C[C@H](c1ccc(F)cc1)N(C)C(=O)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HUKVGGMYOWIFHL-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(14-8-10-16(20)11-9-14)22(2)19(23)17-12-18(24-21-17)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52689316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).