5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole

C16H16N2O2S2 — CID 95317780

IUPAC5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole
SMILESCCc1nc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C16H16N2O2S2/c1-2-16-17-13(9-21-16)10-22(19)11-14-8-15(18-20-14)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/t22-/m1/s1
InChIKeyVOZPHQALFVEIGG-JOCHJYFZSA-N
MW332.45 g/mol
LogP3.81
Rot. Bonds6

About 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole

5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole (PubChem CID 95317780) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole
PubChem CID95317780
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole
SMILESCCc1nc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C16H16N2O2S2/c1-2-16-17-13(9-21-16)10-22(19)11-14-8-15(18-20-14)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/t22-/m1/s1
InChIKeyVOZPHQALFVEIGG-JOCHJYFZSA-N
XLogP3.81
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole
CID 75402868
(3-phenyl-1,2-oxazol-5-yl)methanesulfinic acid
CID 165450453
5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95339767
3-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95354034
3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95064164
2-benzyl-4-[[(R)-(3-methylphenyl)methylsulfinyl]methyl]-1,3-thiazole
CID 95064196
2-benzyl-4-[(3-methylphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 71935057
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole (CID 95317780) is 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole is CCc1nc(C[S@@](=O)Cc2cc(-c3ccccc3)no2)cs1.
What is the InChIKey of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole?
The InChIKey is VOZPHQALFVEIGG-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-2-16-17-13(9-21-16)10-22(19)11-14-8-15(18-20-14)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/t22-/m1/s1.
What are the key properties of 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole?
5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole has a molecular weight of 332.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 95317780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).