2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid

C8H10N2O3S — CID 115028712

IUPAC2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nnc(C2CCSC2)o1
InChIInChI=1S/C8H10N2O3S/c11-7(12)3-6-9-10-8(13-6)5-1-2-14-4-5/h5H,1-4H2,(H,11,12)
InChIKeyBNHIAXRLDLBRFX-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.92
Rot. Bonds3

About 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid

2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 115028712) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
PubChem CID115028712
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nnc(C2CCSC2)o1
InChIInChI=1S/C8H10N2O3S/c11-7(12)3-6-9-10-8(13-6)5-1-2-14-4-5/h5H,1-4H2,(H,11,12)
InChIKeyBNHIAXRLDLBRFX-UHFFFAOYSA-N
XLogP0.92
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid (CID 115028712) is 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid is O=C(O)Cc1nnc(C2CCSC2)o1.
What is the InChIKey of 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid?
The InChIKey is BNHIAXRLDLBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-7(12)3-6-9-10-8(13-6)5-1-2-14-4-5/h5H,1-4H2,(H,11,12).
What are the key properties of 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid?
2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 115028712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).