3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

C15H20N4O2 — CID 128883285

IUPAC3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)nn1
InChIInChI=1S/C15H20N4O2/c1-9-5-6-11(18-17-9)14-16-13(19-21-14)10-7-8-20-12(10)15(2,3)4/h5-6,10,12H,7-8H2,1-4H3/t10-,12-/m1/s1
InChIKeyKDJGLSLFSHICFF-ZYHUDNBSSA-N
MW288.35 g/mol
LogP2.75
Rot. Bonds2

About 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole

3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 128883285) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID128883285
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)nn1
InChIInChI=1S/C15H20N4O2/c1-9-5-6-11(18-17-9)14-16-13(19-21-14)10-7-8-20-12(10)15(2,3)4/h5-6,10,12H,7-8H2,1-4H3/t10-,12-/m1/s1
InChIKeyKDJGLSLFSHICFF-ZYHUDNBSSA-N
XLogP2.75
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole (CID 128883285) is 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is Cc1ccc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)nn1.
What is the InChIKey of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is KDJGLSLFSHICFF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-5-6-11(18-17-9)14-16-13(19-21-14)10-7-8-20-12(10)15(2,3)4/h5-6,10,12H,7-8H2,1-4H3/t10-,12-/m1/s1.
What are the key properties of 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole?
3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-2-tert-butyloxolan-3-yl]-5-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128883285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).