1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol

C11H19NO2S — CID 106923627

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol
SMILESCc1nc(SCC(C)(O)C(C)C)oc1C
InChIInChI=1S/C11H19NO2S/c1-7(2)11(5,13)6-15-10-12-8(3)9(4)14-10/h7,13H,6H2,1-5H3
InChIKeyMFDFGYRTUYUEHV-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.79
Rot. Bonds4

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol

1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol (PubChem CID 106923627) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol
PubChem CID106923627
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol
SMILESCc1nc(SCC(C)(O)C(C)C)oc1C
InChIInChI=1S/C11H19NO2S/c1-7(2)11(5,13)6-15-10-12-8(3)9(4)14-10/h7,13H,6H2,1-5H3
InChIKeyMFDFGYRTUYUEHV-UHFFFAOYSA-N
XLogP2.79
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

2-[2-(bromomethyl)-2-ethylbutyl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921043
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropan-1-amine
CID 106923898
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
CID 106927874
propan-2-yl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetate
CID 103607414
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 106923913
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2-methylpropan-2-amine
CID 106924288
2-[2-(bromomethyl)-3-methylbutyl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921044
2,3-dimethyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]butan-2-ol
CID 114496347
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
CID 106923624
2-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanoic acid
CID 106925415
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]prop-2-ene-1-thiol
CID 106928156

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol (CID 106923627) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol is Cc1nc(SCC(C)(O)C(C)C)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol?
The InChIKey is MFDFGYRTUYUEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-7(2)11(5,13)6-15-10-12-8(3)9(4)14-10/h7,13H,6H2,1-5H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106923627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).