(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole

C27H21FN2O — CID 138376264

IUPAC(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole
SMILESCc1cccc(C2=N[C@@H](c3ccc(F)cc3)C(c3ccccc3)(c3ccccc3)O2)n1
InChIInChI=1S/C27H21FN2O/c1-19-9-8-14-24(29-19)26-30-25(20-15-17-23(28)18-16-20)27(31-26,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,25H,1H3/t25-/m0/s1
InChIKeySWSJRPXOSQCTKB-VWLOTQADSA-N
MW408.48 g/mol
LogP5.99
Rot. Bonds4

About (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole

(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole (PubChem CID 138376264) has the molecular formula C27H21FN2O and a molecular weight of 408.48 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole
PubChem CID138376264
Molecular FormulaC27H21FN2O
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole
SMILESCc1cccc(C2=N[C@@H](c3ccc(F)cc3)C(c3ccccc3)(c3ccccc3)O2)n1
InChIInChI=1S/C27H21FN2O/c1-19-9-8-14-24(29-19)26-30-25(20-15-17-23(28)18-16-20)27(31-26,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,25H,1H3/t25-/m0/s1
InChIKeySWSJRPXOSQCTKB-VWLOTQADSA-N
XLogP5.99
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole (CID 138376264) is (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole is Cc1cccc(C2=N[C@@H](c3ccc(F)cc3)C(c3ccccc3)(c3ccccc3)O2)n1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole?
The InChIKey is SWSJRPXOSQCTKB-VWLOTQADSA-N. The full InChI is InChI=1S/C27H21FN2O/c1-19-9-8-14-24(29-19)26-30-25(20-15-17-23(28)18-16-20)27(31-26,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-18,25H,1H3/t25-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole?
(4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole has a molecular weight of 408.48 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,5-diphenyl-4H-1,3-oxazole is sourced from PubChem (CID 138376264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).