3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole

C13H14ClNO3S — CID 94025461

IUPAC3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)[C@@H](C)c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClNO3S/c1-9-7-11(15-18-9)8-19(16,17)10(2)12-5-3-4-6-13(12)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyQHCWMJISSOGBRP-JTQLQIEISA-N
MW299.78 g/mol
LogP3.31
Rot. Bonds4

About 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole

3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole (PubChem CID 94025461) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole
PubChem CID94025461
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)[C@@H](C)c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClNO3S/c1-9-7-11(15-18-9)8-19(16,17)10(2)12-5-3-4-6-13(12)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyQHCWMJISSOGBRP-JTQLQIEISA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 113356222
methyl 2-(2-chlorophenyl)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]acetate
CID 75375148
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110622054
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
3-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593609
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
N-(4-amino-3-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43604495
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035218
1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
CID 47559752

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole (CID 94025461) is 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CS(=O)(=O)[C@@H](C)c2ccccc2Cl)no1.
What is the InChIKey of 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is QHCWMJISSOGBRP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-9-7-11(15-18-9)8-19(16,17)10(2)12-5-3-4-6-13(12)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole?
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 299.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfonylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 94025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).