(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol

C7H11NO2S — CID 106933459

IUPAC(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1coc(SC[C@H](C)O)n1
InChIInChI=1S/C7H11NO2S/c1-5-3-10-7(8-5)11-4-6(2)9/h3,6,9H,4H2,1-2H3/t6-/m0/s1
InChIKeyGMFSRVMFUVRWFY-LURJTMIESA-N
MW173.24 g/mol
LogP1.46
Rot. Bonds3

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

(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 106933459) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
PubChem CID106933459
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1coc(SC[C@H](C)O)n1
InChIInChI=1S/C7H11NO2S/c1-5-3-10-7(8-5)11-4-6(2)9/h3,6,9H,4H2,1-2H3/t6-/m0/s1
InChIKeyGMFSRVMFUVRWFY-LURJTMIESA-N
XLogP1.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
CID 22367311
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
methyl 2-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106925140
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925190
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 106924260
1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927779
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106927657
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927594

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol (CID 106933459) is (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol is Cc1coc(SC[C@H](C)O)n1.
What is the InChIKey of (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is GMFSRVMFUVRWFY-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO2S/c1-5-3-10-7(8-5)11-4-6(2)9/h3,6,9H,4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol?
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 173.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 106933459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).