(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole

C23H20FNO — CID 130327674

IUPAC(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole
SMILESC[C@@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1cccc(F)c1
InChIInChI=1S/C23H20FNO/c1-23(16-17-9-4-2-5-10-17)21(19-13-8-14-20(24)15-19)26-22(25-23)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1
InChIKeyQIFGZAATJSPDKM-GMAHTHKFSA-N
MW345.42 g/mol
LogP5.35
Rot. Bonds4

About (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole

(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole (PubChem CID 130327674) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole
PubChem CID130327674
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole
SMILESC[C@@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1cccc(F)c1
InChIInChI=1S/C23H20FNO/c1-23(16-17-9-4-2-5-10-17)21(19-13-8-14-20(24)15-19)26-22(25-23)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1
InChIKeyQIFGZAATJSPDKM-GMAHTHKFSA-N
XLogP5.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole?
The IUPAC name of (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole (CID 130327674) is (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole is C[C@@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1cccc(F)c1.
What is the InChIKey of (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole?
The InChIKey is QIFGZAATJSPDKM-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H20FNO/c1-23(16-17-9-4-2-5-10-17)21(19-13-8-14-20(24)15-19)26-22(25-23)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3/t21-,23-/m0/s1.
What are the key properties of (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole?
(4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole has a molecular weight of 345.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-benzyl-5-(3-fluorophenyl)-4-methyl-2-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 130327674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).