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

C17H20N6O2 — CID 154766157

IUPAC3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2ccccc2-n2cnnn2)n1
InChIInChI=1S/C17H20N6O2/c1-17(2,3)14-12(8-9-24-14)15-19-16(25-20-15)11-6-4-5-7-13(11)23-10-18-21-22-23/h4-7,10,12,14H,8-9H2,1-3H3/t12-,14-/m1/s1
InChIKeyQRBJCIGUBRMAGF-TZMCWYRMSA-N
MW340.39 g/mol
LogP2.63
Rot. Bonds3

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

3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 154766157) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
PubChem CID154766157
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2ccccc2-n2cnnn2)n1
InChIInChI=1S/C17H20N6O2/c1-17(2,3)14-12(8-9-24-14)15-19-16(25-20-15)11-6-4-5-7-13(11)23-10-18-21-22-23/h4-7,10,12,14H,8-9H2,1-3H3/t12-,14-/m1/s1
InChIKeyQRBJCIGUBRMAGF-TZMCWYRMSA-N
XLogP2.63
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-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-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole (CID 154766157) is 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole is CC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2ccccc2-n2cnnn2)n1.
What is the InChIKey of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is QRBJCIGUBRMAGF-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-17(2,3)14-12(8-9-24-14)15-19-16(25-20-15)11-6-4-5-7-13(11)23-10-18-21-22-23/h4-7,10,12,14H,8-9H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole?
3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 340.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154766157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).