[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol

C9H13NO2S — CID 115093882

IUPAC[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C2CCSCC2)on1
InChIInChI=1S/C9H13NO2S/c11-6-8-5-9(12-10-8)7-1-3-13-4-2-7/h5,7,11H,1-4,6H2
InChIKeyONWDKTJQSNDYFW-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.78
Rot. Bonds2

About [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol

[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 115093882) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol
PubChem CID115093882
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C2CCSCC2)on1
InChIInChI=1S/C9H13NO2S/c11-6-8-5-9(12-10-8)7-1-3-13-4-2-7/h5,7,11H,1-4,6H2
InChIKeyONWDKTJQSNDYFW-UHFFFAOYSA-N
XLogP1.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol
CID 115094035
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
[5-[(2S)-2-methylcyclopropyl]-1,2-oxazol-3-yl]methanol
CID 142389814
[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol
CID 115094067
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
5-(thian-4-yl)-1,3-oxazol-2-amine
CID 115016732
2-bromo-5-(thian-4-yl)-1,3-oxazole
CID 115046264
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
2-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]propan-2-ol
CID 172890964

Frequently Asked Questions

What is the IUPAC name of [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol (CID 115093882) is [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol is OCc1cc(C2CCSCC2)on1.
What is the InChIKey of [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is ONWDKTJQSNDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-6-8-5-9(12-10-8)7-1-3-13-4-2-7/h5,7,11H,1-4,6H2.
What are the key properties of [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol?
[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 199.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thian-4-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115093882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).