(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole

C22H18FNOS — CID 164668263

IUPAC(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole
SMILESFc1ccccc1SC[C@@]1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C22H18FNOS/c23-19-13-7-8-14-21(19)26-16-22(18-11-5-2-6-12-18)15-20(24-25-22)17-9-3-1-4-10-17/h1-14H,15-16H2/t22-/m1/s1
InChIKeyMWNXALXEALYLHK-JOCHJYFZSA-N
MW363.46 g/mol
LogP5.64
Rot. Bonds5

About (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole

(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole (PubChem CID 164668263) has the molecular formula C22H18FNOS and a molecular weight of 363.46 g/mol. Its IUPAC name is (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole
PubChem CID164668263
Molecular FormulaC22H18FNOS
Molecular Weight363.46 g/mol
Exact Mass363.11
IUPAC Name(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole
SMILESFc1ccccc1SC[C@@]1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C22H18FNOS/c23-19-13-7-8-14-21(19)26-16-22(18-11-5-2-6-12-18)15-20(24-25-22)17-9-3-1-4-10-17/h1-14H,15-16H2/t22-/m1/s1
InChIKeyMWNXALXEALYLHK-JOCHJYFZSA-N
XLogP5.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole?
The IUPAC name of (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole (CID 164668263) is (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole.
What is the SMILES notation for (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole?
The canonical SMILES for (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole is Fc1ccccc1SC[C@@]1(c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole?
The InChIKey is MWNXALXEALYLHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18FNOS/c23-19-13-7-8-14-21(19)26-16-22(18-11-5-2-6-12-18)15-20(24-25-22)17-9-3-1-4-10-17/h1-14H,15-16H2/t22-/m1/s1.
What are the key properties of (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole?
(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole has a molecular weight of 363.46 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole is sourced from PubChem (CID 164668263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).