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

C9H13NO2S — CID 115021752

IUPAC[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol
SMILESCc1oc(CO)nc1C1CCSC1
InChIInChI=1S/C9H13NO2S/c1-6-9(7-2-3-13-5-7)10-8(4-11)12-6/h7,11H,2-5H2,1H3
InChIKeyFZAWBJUEPCAZGJ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.70
Rot. Bonds2

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

[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol (PubChem CID 115021752) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol
PubChem CID115021752
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol
SMILESCc1oc(CO)nc1C1CCSC1
InChIInChI=1S/C9H13NO2S/c1-6-9(7-2-3-13-5-7)10-8(4-11)12-6/h7,11H,2-5H2,1H3
InChIKeyFZAWBJUEPCAZGJ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol 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

[5-methyl-4-(thian-4-yl)-1,3-oxazol-2-yl]methanol
CID 115028422
3-[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]propanoic acid
CID 115044337
(5-methyl-4-piperidin-4-yl-1,3-oxazol-2-yl)methanol
CID 115020647
[5-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-yl]methanol
CID 115020651
2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
2-[5-methyl-4-(oxan-3-yl)-1,3-oxazol-2-yl]ethanol
CID 115027359
2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115021666
2-[5-methyl-4-(thiolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 115036882
3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130693534
3-[5-methyl-4-(1-methylpiperidin-3-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042702
2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
4-(thiolan-3-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115049712

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol (CID 115021752) is [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol is Cc1oc(CO)nc1C1CCSC1.
What is the InChIKey of [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol?
The InChIKey is FZAWBJUEPCAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-9(7-2-3-13-5-7)10-8(4-11)12-6/h7,11H,2-5H2,1H3.
What are the key properties of [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol?
[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol has a molecular weight of 199.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 115021752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).