3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole

C13H16N2O2S — CID 71920891

IUPAC3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
SMILESc1csc(CCCc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C13H16N2O2S/c1(3-11-4-2-8-18-11)5-12-14-13(15-17-12)10-6-7-16-9-10/h2,4,8,10H,1,3,5-7,9H2
InChIKeyCUVGPQYSFANINW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.81
Rot. Bonds5

About 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole (PubChem CID 71920891) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
PubChem CID71920891
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
SMILESc1csc(CCCc2nc(C3CCOC3)no2)c1
InChIInChI=1S/C13H16N2O2S/c1(3-11-4-2-8-18-11)5-12-14-13(15-17-12)10-6-7-16-9-10/h2,4,8,10H,1,3,5-7,9H2
InChIKeyCUVGPQYSFANINW-UHFFFAOYSA-N
XLogP2.81
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367
3-(3-methylphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97434740
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
3-(2-methoxyphenyl)-5-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
CID 97443372
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72891945
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
3-[(3R)-oxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,2,4-oxadiazole
CID 129380265
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole (CID 71920891) is 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole is c1csc(CCCc2nc(C3CCOC3)no2)c1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is CUVGPQYSFANINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1(3-11-4-2-8-18-11)5-12-14-13(15-17-12)10-6-7-16-9-10/h2,4,8,10H,1,3,5-7,9H2.
What are the key properties of 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71920891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).