[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol

C8H11NO2S — CID 115094035

IUPAC[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C2CCCS2)on1
InChIInChI=1S/C8H11NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h4,8,10H,1-3,5H2
InChIKeyDOBIHOBHNWMGRQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.74
Rot. Bonds2

About [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol

[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 115094035) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol
PubChem CID115094035
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C2CCCS2)on1
InChIInChI=1S/C8H11NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h4,8,10H,1-3,5H2
InChIKeyDOBIHOBHNWMGRQ-UHFFFAOYSA-N
XLogP1.74
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093882
5-(thiolan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115021654
[5-(thiolan-2-yl)-1,2-oxazol-4-yl]methanol
CID 115093479
[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol
CID 115094067
[5-[(2S)-2-methylcyclopropyl]-1,2-oxazol-3-yl]methanol
CID 142389814
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
2-[5-(thiolan-2-yl)-1,2-oxazol-4-yl]acetic acid
CID 105466706
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol
CID 115029322
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996
[5-(oxolan-3-ylmethyl)-1,2-oxazol-3-yl]methanol
CID 115093911
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343

Frequently Asked Questions

What is the IUPAC name of [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol (CID 115094035) is [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol is OCc1cc(C2CCCS2)on1.
What is the InChIKey of [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is DOBIHOBHNWMGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h4,8,10H,1-3,5H2.
What are the key properties of [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol?
[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 185.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115094035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).