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

C9H12N2O2 — CID 130611413

IUPAC5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
SMILESC=CCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C9H12N2O2/c1-2-4-8-10-9(13-11-8)7-5-3-6-12-7/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyWDXXSTVKPJMKON-SSDOTTSWSA-N
MW180.21 g/mol
LogP1.65
Rot. Bonds3

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

5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole (PubChem CID 130611413) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
PubChem CID130611413
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
SMILESC=CCc1noc([C@H]2CCCO2)n1
InChIInChI=1S/C9H12N2O2/c1-2-4-8-10-9(13-11-8)7-5-3-6-12-7/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyWDXXSTVKPJMKON-SSDOTTSWSA-N
XLogP1.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154903956
5-(2,2-dimethylcyclopropyl)-3-prop-2-enyl-1,2,4-oxadiazole
CID 131132193
3-[(2,6-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 129349220
3-prop-2-enyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130660248
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
4-[1-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]morpholine
CID 91837402
5-[(2S)-oxolan-2-yl]-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 124753376
5-[(2S)-oxolan-2-yl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-oxadiazole
CID 167887821
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 124754936
5-[(2R)-oxolan-2-yl]-3-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 95549639
2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62652420
4-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzothiazin-3-one
CID 97188640

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole (CID 130611413) is 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole is C=CCc1noc([C@H]2CCCO2)n1.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole?
The InChIKey is WDXXSTVKPJMKON-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-4-8-10-9(13-11-8)7-5-3-6-12-7/h2,7H,1,3-6H2/t7-/m1/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole?
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole has a molecular weight of 180.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole is sourced from PubChem (CID 130611413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).