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

C18H18N2O2S — CID 129489169

IUPAC2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
SMILESC[C@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1cccs1
InChIInChI=1S/C18H18N2O2S/c1-12(15-8-5-11-23-15)17-19-20-18(22-17)14-9-10-21-16(14)13-6-3-2-4-7-13/h2-8,11-12,14,16H,9-10H2,1H3/t12-,14-,16+/m0/s1
InChIKeyIWHMDXFCWMAMSQ-DUVNUKRYSA-N
MW326.42 g/mol
LogP4.53
Rot. Bonds4

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

2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole (PubChem CID 129489169) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
PubChem CID129489169
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
SMILESC[C@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1cccs1
InChIInChI=1S/C18H18N2O2S/c1-12(15-8-5-11-23-15)17-19-20-18(22-17)14-9-10-21-16(14)13-6-3-2-4-7-13/h2-8,11-12,14,16H,9-10H2,1H3/t12-,14-,16+/m0/s1
InChIKeyIWHMDXFCWMAMSQ-DUVNUKRYSA-N
XLogP4.53
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.53
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-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole (CID 129489169) is 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole is C[C@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1cccs1.
What is the InChIKey of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole?
The InChIKey is IWHMDXFCWMAMSQ-DUVNUKRYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12(15-8-5-11-23-15)17-19-20-18(22-17)14-9-10-21-16(14)13-6-3-2-4-7-13/h2-8,11-12,14,16H,9-10H2,1H3/t12-,14-,16+/m0/s1.
What are the key properties of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole?
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole has a molecular weight of 326.42 g/mol, XLogP of 4.53, 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-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 129489169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).