2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole

C13H14ClNO2S — CID 75502277

IUPAC2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CS(=O)Cc2ccc(Cl)cc2)oc1C
InChIInChI=1S/C13H14ClNO2S/c1-9-10(2)17-13(15-9)8-18(16)7-11-3-5-12(14)6-4-11/h3-6H,7-8H2,1-2H3
InChIKeyIWEFYGJRVUFIJO-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.39
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole

2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 75502277) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
PubChem CID75502277
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CS(=O)Cc2ccc(Cl)cc2)oc1C
InChIInChI=1S/C13H14ClNO2S/c1-9-10(2)17-13(15-9)8-18(16)7-11-3-5-12(14)6-4-11/h3-6H,7-8H2,1-2H3
InChIKeyIWEFYGJRVUFIJO-UHFFFAOYSA-N
XLogP3.39
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole
CID 99782673
2-[[(S)-(1-benzylimidazol-2-yl)methylsulfinyl]methyl]-4,5-dimethyl-1,3-oxazole
CID 99782674
4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75502305
4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75519913
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
1-tert-butyl-4-[[(S)-(4-chlorophenyl)methylsulfinyl]methyl]benzene
CID 52513153
2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
CID 75502300
1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 47022745
4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75502302
1-[(4-chlorophenyl)methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111130813
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 82469660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole (CID 75502277) is 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CS(=O)Cc2ccc(Cl)cc2)oc1C.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is IWEFYGJRVUFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-9-10(2)17-13(15-9)8-18(16)7-11-3-5-12(14)6-4-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 283.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 75502277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).