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

C12H13NO2S — CID 106926965

IUPAC(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1coc(Sc2ccccc2[C@H](C)O)n1
InChIInChI=1S/C12H13NO2S/c1-8-7-15-12(13-8)16-11-6-4-3-5-10(11)9(2)14/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKeyOAZKGNSGKXIGJP-VIFPVBQESA-N
MW235.31 g/mol
LogP3.19
Rot. Bonds3

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

(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 106926965) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID106926965
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1coc(Sc2ccccc2[C@H](C)O)n1
InChIInChI=1S/C12H13NO2S/c1-8-7-15-12(13-8)16-11-6-4-3-5-10(11)9(2)14/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKeyOAZKGNSGKXIGJP-VIFPVBQESA-N
XLogP3.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol (CID 106926965) is (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol is Cc1coc(Sc2ccccc2[C@H](C)O)n1.
What is the InChIKey of (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is OAZKGNSGKXIGJP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-7-15-12(13-8)16-11-6-4-3-5-10(11)9(2)14/h3-7,9,14H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol?
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 235.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 106926965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).