1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol

C14H16ClNO4S — CID 47559752

IUPAC1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
SMILESCc1noc(C)c1CS(=O)(=O)CC(O)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO4S/c1-9-12(10(2)20-16-9)7-21(18,19)8-14(17)11-5-3-4-6-13(11)15/h3-6,14,17H,7-8H2,1-2H3
InChIKeyHQMPVZMMVGRBAR-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol

1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol (PubChem CID 47559752) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
PubChem CID47559752
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
SMILESCc1noc(C)c1CS(=O)(=O)CC(O)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO4S/c1-9-12(10(2)20-16-9)7-21(18,19)8-14(17)11-5-3-4-6-13(11)15/h3-6,14,17H,7-8H2,1-2H3
InChIKeyHQMPVZMMVGRBAR-UHFFFAOYSA-N
XLogP2.59
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,5-dimethylphenyl)ethanol
CID 111472429
(1S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-(3,4-dimethylphenyl)ethanol
CID 95197515
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 109402464
1-(2-chlorophenyl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanol
CID 47559173
2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 82140353
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonylmethyl]benzoic acid
CID 94805166
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86923030
[(1R)-1-(2-chlorophenyl)ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7399133
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450
2-[(3,5-dimethylphenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905376
2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905426

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol (CID 47559752) is 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol is Cc1noc(C)c1CS(=O)(=O)CC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol?
The InChIKey is HQMPVZMMVGRBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c1-9-12(10(2)20-16-9)7-21(18,19)8-14(17)11-5-3-4-6-13(11)15/h3-6,14,17H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol?
1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol has a molecular weight of 329.81 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol is sourced from PubChem (CID 47559752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).