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

C9H14N2O2 — CID 131182892

IUPAC3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(C[C@H]2CCOC2)n1
InChIInChI=1S/C9H14N2O2/c1-2-8-10-9(13-11-8)5-7-3-4-12-6-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyUCBVTOWGDMGZSF-SSDOTTSWSA-N
MW182.22 g/mol
LogP1.21
Rot. Bonds3

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

3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 131182892) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID131182892
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(C[C@H]2CCOC2)n1
InChIInChI=1S/C9H14N2O2/c1-2-8-10-9(13-11-8)5-7-3-4-12-6-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyUCBVTOWGDMGZSF-SSDOTTSWSA-N
XLogP1.21
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254
1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078600
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103985627
1-cyclopropyl-N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 113362300
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562
3-methyl-4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526632
3-(oxolan-3-ylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 103985671
3-(oxolan-3-ylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 103985827
(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915482

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole (CID 131182892) is 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole is CCc1noc(C[C@H]2CCOC2)n1.
What is the InChIKey of 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is UCBVTOWGDMGZSF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8-10-9(13-11-8)5-7-3-4-12-6-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 131182892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).