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

C17H16N2O2S — CID 154753593

IUPAC2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc([C@H]2OCC[C@@H]2c2nnc(Cc3cccs3)o2)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-5-12(6-3-1)16-14(8-9-20-16)17-19-18-15(21-17)11-13-7-4-10-22-13/h1-7,10,14,16H,8-9,11H2/t14-,16+/m0/s1
InChIKeySDLDMBYUVDXXQQ-GOEBONIOSA-N
MW312.39 g/mol
LogP3.97
Rot. Bonds4

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

2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 154753593) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID154753593
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc([C@H]2OCC[C@@H]2c2nnc(Cc3cccs3)o2)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-5-12(6-3-1)16-14(8-9-20-16)17-19-18-15(21-17)11-13-7-4-10-22-13/h1-7,10,14,16H,8-9,11H2/t14-,16+/m0/s1
InChIKeySDLDMBYUVDXXQQ-GOEBONIOSA-N
XLogP3.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole (CID 154753593) is 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole is c1ccc([C@H]2OCC[C@@H]2c2nnc(Cc3cccs3)o2)cc1.
What is the InChIKey of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is SDLDMBYUVDXXQQ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-5-12(6-3-1)16-14(8-9-20-16)17-19-18-15(21-17)11-13-7-4-10-22-13/h1-7,10,14,16H,8-9,11H2/t14-,16+/m0/s1.
What are the key properties of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 312.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154753593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).