2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

C17H20N2O3 — CID 129490164

IUPAC2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESc1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CCCCO3)o2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-6-12(7-3-1)15-13(9-11-21-15)16-18-19-17(22-16)14-8-4-5-10-20-14/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14-,15+/m0/s1
InChIKeySYQNOQAXXQSMRQ-SOUVJXGZSA-N
MW300.36 g/mol
LogP3.56
Rot. Bonds3

About 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole

2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (PubChem CID 129490164) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
PubChem CID129490164
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
SMILESc1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CCCCO3)o2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-6-12(7-3-1)15-13(9-11-21-15)16-18-19-17(22-16)14-8-4-5-10-20-14/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14-,15+/m0/s1
InChIKeySYQNOQAXXQSMRQ-SOUVJXGZSA-N
XLogP3.56
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole (CID 129490164) is 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CCCCO3)o2)cc1.
What is the InChIKey of 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
The InChIKey is SYQNOQAXXQSMRQ-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-6-12(7-3-1)15-13(9-11-21-15)16-18-19-17(22-16)14-8-4-5-10-20-14/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14-,15+/m0/s1.
What are the key properties of 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole?
2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129490164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).