3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole

C13H16N2O2S — CID 97444598

IUPAC3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole
SMILESCCCc1cc(-c2nc([C@H]3CCOC3)no2)cs1
InChIInChI=1S/C13H16N2O2S/c1-2-3-11-6-10(8-18-11)13-14-12(15-17-13)9-4-5-16-7-9/h6,8-9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyBEOHOEPUVYLFMC-VIFPVBQESA-N
MW264.35 g/mol
LogP3.25
Rot. Bonds4

About 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole (PubChem CID 97444598) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole
PubChem CID97444598
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole
SMILESCCCc1cc(-c2nc([C@H]3CCOC3)no2)cs1
InChIInChI=1S/C13H16N2O2S/c1-2-3-11-6-10(8-18-11)13-14-12(15-17-13)9-4-5-16-7-9/h6,8-9H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyBEOHOEPUVYLFMC-VIFPVBQESA-N
XLogP3.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole (CID 97444598) is 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole is CCCc1cc(-c2nc([C@H]3CCOC3)no2)cs1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole?
The InChIKey is BEOHOEPUVYLFMC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-3-11-6-10(8-18-11)13-14-12(15-17-13)9-4-5-16-7-9/h6,8-9H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-(5-propylthiophen-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 97444598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).