3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole

C11H18N2O2 — CID 128973234

IUPAC3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2nc(C(C)(C)C)no2)O1
InChIInChI=1S/C11H18N2O2/c1-7-5-6-8(14-7)9-12-10(13-15-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyJACAAGIILKZTQX-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.61
Rot. Bonds1

About 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole

3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 128973234) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
PubChem CID128973234
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
SMILESCC1CCC(c2nc(C(C)(C)C)no2)O1
InChIInChI=1S/C11H18N2O2/c1-7-5-6-8(14-7)9-12-10(13-15-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyJACAAGIILKZTQX-UHFFFAOYSA-N
XLogP2.61
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 81327285
5-(7-bicyclo[4.1.0]heptanyl)-3-tert-butyl-1,2,4-oxadiazole
CID 102559233
3-tert-butyl-5-[(2S,3S)-3-methyloxolan-2-yl]-1,2,4-oxadiazole
CID 129381279
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81327799
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 81327202
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
ethyl 5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 81327711
3-[(4-chlorophenyl)methyl]-5-[(2R,5S)-5-methyloxolan-2-yl]-1,2,4-oxadiazole
CID 129381422
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole (CID 128973234) is 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole is CC1CCC(c2nc(C(C)(C)C)no2)O1.
What is the InChIKey of 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is JACAAGIILKZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-5-6-8(14-7)9-12-10(13-15-9)11(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128973234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).