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

C18H18N2O2S — CID 154753594

IUPAC2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole
SMILESCC(c1ccsc1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C18H18N2O2S/c1-12(14-8-10-23-11-14)17-19-20-18(22-17)15-7-9-21-16(15)13-5-3-2-4-6-13/h2-6,8,10-12,15-16H,7,9H2,1H3/t12?,15-,16+/m0/s1
InChIKeyUSTPKIORYNJYKB-FFPFEORLSA-N
MW326.42 g/mol
LogP4.53
Rot. Bonds4

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

2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole (PubChem CID 154753594) 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-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole
PubChem CID154753594
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole
SMILESCC(c1ccsc1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1
InChIInChI=1S/C18H18N2O2S/c1-12(14-8-10-23-11-14)17-19-20-18(22-17)15-7-9-21-16(15)13-5-3-2-4-6-13/h2-6,8,10-12,15-16H,7,9H2,1H3/t12?,15-,16+/m0/s1
InChIKeyUSTPKIORYNJYKB-FFPFEORLSA-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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Related Compounds

2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-2-ylethyl)-1,3,4-oxadiazole
CID 120431304
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazole
CID 120431316
2-(1,4-dithian-2-yl)-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 120431317
2-[(2S,3S)-2-tert-butyloxolan-3-yl]-5-(1-thiophen-2-ylethyl)-1,3,4-oxadiazole
CID 120431355
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
CID 129489169
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-[(1S)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
CID 129489170
2-[(2S)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129489307
2-[(2R)-1,4-dithian-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129489308
2-[(2S,3S)-2-tert-butyloxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
CID 129490083
2-[(2S,3S)-2-tert-butyloxolan-3-yl]-5-[(1S)-1-thiophen-2-ylethyl]-1,3,4-oxadiazole
CID 129490084
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 154753593
2-(2,3-dihydro-1-benzothiophen-3-yl)-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 167902311

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole (CID 154753594) is 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole is CC(c1ccsc1)c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1.
What is the InChIKey of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole?
The InChIKey is USTPKIORYNJYKB-FFPFEORLSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12(14-8-10-23-11-14)17-19-20-18(22-17)15-7-9-21-16(15)13-5-3-2-4-6-13/h2-6,8,10-12,15-16H,7,9H2,1H3/t12?,15-,16+/m0/s1.
What are the key properties of 2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole?
2-[(2S,3S)-2-phenyloxolan-3-yl]-5-(1-thiophen-3-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-(1-thiophen-3-ylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154753594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).