(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol

C13H15NO3S — CID 106926969

IUPAC(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCOc1cccc(Sc2nc(C)co2)c1[C@@H](C)O
InChIInChI=1S/C13H15NO3S/c1-8-7-17-13(14-8)18-11-6-4-5-10(16-3)12(11)9(2)15/h4-7,9,15H,1-3H3/t9-/m1/s1
InChIKeyXEFKTODSASMCPH-SECBINFHSA-N
MW265.33 g/mol
LogP3.20
Rot. Bonds4

About (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol

(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 106926969) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID106926969
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCOc1cccc(Sc2nc(C)co2)c1[C@@H](C)O
InChIInChI=1S/C13H15NO3S/c1-8-7-17-13(14-8)18-11-6-4-5-10(16-3)12(11)9(2)15/h4-7,9,15H,1-3H3/t9-/m1/s1
InChIKeyXEFKTODSASMCPH-SECBINFHSA-N
XLogP3.20
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921500
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926965
3-[2-(1-hydroxyethyl)-3-methoxyphenyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107783589
ethyl 2-amino-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-4-carboxylate
CID 114195804
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
CID 103175163
[6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 106928814
(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine
CID 113389113
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-methoxyaniline
CID 106921652
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide
CID 114232132
1-(2-methoxy-6-phenoxyphenyl)ethanol
CID 113389264
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol (CID 106926969) is (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol is COc1cccc(Sc2nc(C)co2)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is XEFKTODSASMCPH-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-8-7-17-13(14-8)18-11-6-4-5-10(16-3)12(11)9(2)15/h4-7,9,15H,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 265.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 106926969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).