5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid

C9H12N2O4S — CID 62299227

IUPAC5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid
SMILESCc1nnc(SCC2CCC(C(=O)O)O2)o1
InChIInChI=1S/C9H12N2O4S/c1-5-10-11-9(14-5)16-4-6-2-3-7(15-6)8(12)13/h6-7H,2-4H2,1H3,(H,12,13)
InChIKeyFSXXJPGWRQUKLS-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.10
Rot. Bonds4

About 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid

5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid (PubChem CID 62299227) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid
PubChem CID62299227
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid
SMILESCc1nnc(SCC2CCC(C(=O)O)O2)o1
InChIInChI=1S/C9H12N2O4S/c1-5-10-11-9(14-5)16-4-6-2-3-7(15-6)8(12)13/h6-7H,2-4H2,1H3,(H,12,13)
InChIKeyFSXXJPGWRQUKLS-UHFFFAOYSA-N
XLogP1.10
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid (CID 62299227) is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid is Cc1nnc(SCC2CCC(C(=O)O)O2)o1.
What is the InChIKey of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
The InChIKey is FSXXJPGWRQUKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-5-10-11-9(14-5)16-4-6-2-3-7(15-6)8(12)13/h6-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid?
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).