2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid

C8H9NO3S — CID 115021666

IUPAC2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCSC2)o1
InChIInChI=1S/C8H9NO3S/c10-8(11)6-3-9-7(12-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyVBHUTNRPZZHSRM-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.59
Rot. Bonds2

About 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid

2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 115021666) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID115021666
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCSC2)o1
InChIInChI=1S/C8H9NO3S/c10-8(11)6-3-9-7(12-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyVBHUTNRPZZHSRM-UHFFFAOYSA-N
XLogP1.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid 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

2-[2-(thiolan-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115028315
2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115085637
2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757
2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115028712
1-[2-(thian-3-yl)-1,3-oxazol-5-yl]ethanol
CID 115085513
2-chloro-5-(thiolan-3-yl)pyridine-3-carboxylic acid
CID 115045125
4-(thiolan-3-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115049712
5-(thian-4-yl)-1,3-thiazole-2-carboxylic acid
CID 115037365
3-(thiolan-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021927
3-(thiolan-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142453
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 115089759
[5-methyl-4-(thiolan-3-yl)-1,3-oxazol-2-yl]methanol
CID 115021752

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid (CID 115021666) is 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(C2CCSC2)o1.
What is the InChIKey of 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is VBHUTNRPZZHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-8(11)6-3-9-7(12-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H,10,11).
What are the key properties of 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid?
2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 115021666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).