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

C22H18ClNOS — CID 164668255

IUPAC(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
SMILESClc1cccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C22H18ClNOS/c23-19-11-7-10-18(14-19)22(16-26-20-12-5-2-6-13-20)15-21(24-25-22)17-8-3-1-4-9-17/h1-14H,15-16H2/t22-/m1/s1
InChIKeyUXAFNYTXRFWODA-JOCHJYFZSA-N
MW379.91 g/mol
LogP6.15
Rot. Bonds5

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

(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole (PubChem CID 164668255) has the molecular formula C22H18ClNOS and a molecular weight of 379.91 g/mol. Its IUPAC name is (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
PubChem CID164668255
Molecular FormulaC22H18ClNOS
Molecular Weight379.91 g/mol
Exact Mass379.08
IUPAC Name(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
SMILESClc1cccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C22H18ClNOS/c23-19-11-7-10-18(14-19)22(16-26-20-12-5-2-6-13-20)15-21(24-25-22)17-8-3-1-4-9-17/h1-14H,15-16H2/t22-/m1/s1
InChIKeyUXAFNYTXRFWODA-JOCHJYFZSA-N
XLogP6.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.91
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(3-methylphenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole
CID 164668254
(3,5-diphenyl-4H-1,2-oxazol-5-yl)methanol
CID 14688929
(5R)-5-(bromomethyl)-5-(3-chlorophenyl)-2-phenyl-4H-1,3-oxazole
CID 135035335
(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
CID 102113523
4-(5-benzyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
CID 71554495
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline
CID 66726674
5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-[(E)-3-iodoprop-1-enyl]-3,5-diphenyl-4H-1,2-oxazole
CID 139046858
2-benzyl-2-[[2-(3-chlorophenyl)oxiran-2-yl]methyl]propanedinitrile
CID 86187317
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 149219857
3-(4-chlorophenyl)-5-phenyl-5-[(E)-2-phenylethenyl]-4H-1,2-oxazole
CID 10594654
3-[3-(1-bromoethyl)phenyl]-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 174722176

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The IUPAC name of (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole (CID 164668255) is (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The canonical SMILES for (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole is Clc1cccc([C@]2(CSc3ccccc3)CC(c3ccccc3)=NO2)c1.
What is the InChIKey of (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
The InChIKey is UXAFNYTXRFWODA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H18ClNOS/c23-19-11-7-10-18(14-19)22(16-26-20-12-5-2-6-13-20)15-21(24-25-22)17-8-3-1-4-9-17/h1-14H,15-16H2/t22-/m1/s1.
What are the key properties of (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole?
(5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole has a molecular weight of 379.91 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-chlorophenyl)-3-phenyl-5-(phenylsulfanylmethyl)-4H-1,2-oxazole is sourced from PubChem (CID 164668255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).