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

C22H18FNOS — CID 164668256

IUPAC(5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
SMILESFc1ccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C22H18FNOS/c23-19-13-11-18(12-14-19)22(16-26-20-9-5-2-6-10-20)15-21(24-25-22)17-7-3-1-4-8-17/h1-14H,15-16H2/t22-/m1/s1
InChIKeyYAFPPSXYIMWUAX-JOCHJYFZSA-N
MW363.46 g/mol
LogP5.64
Rot. Bonds5

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

(5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole (PubChem CID 164668256) has the molecular formula C22H18FNOS and a molecular weight of 363.46 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
PubChem CID164668256
Molecular FormulaC22H18FNOS
Molecular Weight363.46 g/mol
Exact Mass363.11
IUPAC Name(5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
SMILESFc1ccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C22H18FNOS/c23-19-13-11-18(12-14-19)22(16-26-20-9-5-2-6-10-20)15-21(24-25-22)17-7-3-1-4-8-17/h1-14H,15-16H2/t22-/m1/s1
InChIKeyYAFPPSXYIMWUAX-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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Related Compounds

3,5,5-Triphenyl-4,5-dihydroisoxazole
CID 1205479
(5S)-3-(4-fluorophenyl)-5-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668246
(5S)-5-phenyl-5-(phenylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668249
(5S)-5-phenyl-5-(phenylsulfanylmethyl)-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668250
(5S)-3-phenyl-5-(phenylsulfanylmethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668258
(5S)-5-[(2-fluorophenyl)sulfanylmethyl]-3,5-diphenyl-4H-1,2-oxazole
CID 164668263
(5S)-3-(3-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-4H-1,2-oxazole
CID 166443800
(5S)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyl-3-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 166443801
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazol-5-yl]methyl thiocyanate
CID 178337557
3,5,5-Triphenyl-1,4,2-oxathiazole
CID 102319974
5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole
CID 59544913
5-[(2,6-difluorophenyl)methylsulfanylmethyl]-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole
CID 140197554

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The IUPAC name of (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole (CID 164668256) is (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The canonical SMILES for (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole is Fc1ccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The InChIKey is YAFPPSXYIMWUAX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18FNOS/c23-19-13-11-18(12-14-19)22(16-26-20-9-5-2-6-10-20)15-21(24-25-22)17-7-3-1-4-8-17/h1-14H,15-16H2/t22-/m1/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
(5S)-5-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-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-(4-fluorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole is sourced from PubChem (CID 164668256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).