methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate

C11H16N2O3S — CID 23006669

IUPACmethyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)CCSc1nnc(C2CCCC2)o1
InChIInChI=1S/C11H16N2O3S/c1-15-9(14)6-7-17-11-13-12-10(16-11)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyOPRPWGFOJCAQLU-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.38
Rot. Bonds5

About methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate

methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (PubChem CID 23006669) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
PubChem CID23006669
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)CCSc1nnc(C2CCCC2)o1
InChIInChI=1S/C11H16N2O3S/c1-15-9(14)6-7-17-11-13-12-10(16-11)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyOPRPWGFOJCAQLU-UHFFFAOYSA-N
XLogP2.38
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The IUPAC name of methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (CID 23006669) is methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is COC(=O)CCSc1nnc(C2CCCC2)o1.
What is the InChIKey of methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The InChIKey is OPRPWGFOJCAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-15-9(14)6-7-17-11-13-12-10(16-11)8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate has a molecular weight of 256.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 23006669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).