3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole

C14H24N2O3 — CID 91650075

IUPAC3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1
InChIInChI=1S/C14H24N2O3/c1-5-7-17-9-11-15-13(16-19-11)10-6-8-18-12(10)14(2,3)4/h10,12H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyWDTHDTFRCNSODB-JQWIXIFHSA-N
MW268.36 g/mol
LogP2.91
Rot. Bonds5

About 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole

3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 91650075) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID91650075
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1
InChIInChI=1S/C14H24N2O3/c1-5-7-17-9-11-15-13(16-19-11)10-6-8-18-12(10)14(2,3)4/h10,12H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyWDTHDTFRCNSODB-JQWIXIFHSA-N
XLogP2.91
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole (CID 91650075) is 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1.
What is the InChIKey of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is WDTHDTFRCNSODB-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-7-17-9-11-15-13(16-19-11)10-6-8-18-12(10)14(2,3)4/h10,12H,5-9H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole?
3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 268.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2-tert-butyloxolan-3-yl]-5-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91650075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).