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

C8H13NO2S — CID 106923608

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
SMILESCc1coc(SCCC(C)O)n1
InChIInChI=1S/C8H13NO2S/c1-6-5-11-8(9-6)12-4-3-7(2)10/h5,7,10H,3-4H2,1-2H3
InChIKeyXJENCRRVALZUBZ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds4

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

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol (PubChem CID 106923608) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
PubChem CID106923608
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
SMILESCc1coc(SCCC(C)O)n1
InChIInChI=1S/C8H13NO2S/c1-6-5-11-8(9-6)12-4-3-7(2)10/h5,7,10H,3-4H2,1-2H3
InChIKeyXJENCRRVALZUBZ-UHFFFAOYSA-N
XLogP1.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
2-(3,3-diethoxypropylsulfanyl)-4-methyl-1,3-oxazole
CID 106924051
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
CID 22367311
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
2-(2-azidoethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924308
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925190
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
methyl 2-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106925140
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922726

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol (CID 106923608) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol is Cc1coc(SCCC(C)O)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol?
The InChIKey is XJENCRRVALZUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-5-11-8(9-6)12-4-3-7(2)10/h5,7,10H,3-4H2,1-2H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 106923608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).