2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole

C14H12N2O2 — CID 42580721

IUPAC2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole
SMILESc1ccc([C@H](Cc2nnco2)c2ccco2)cc1
InChIInChI=1S/C14H12N2O2/c1-2-5-11(6-3-1)12(13-7-4-8-17-13)9-14-16-15-10-18-14/h1-8,10,12H,9H2/t12-/m0/s1
InChIKeyIVKUMZPRGHIWKT-LBPRGKRZSA-N
MW240.26 g/mol
LogP3.04
Rot. Bonds4

About 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole

2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole (PubChem CID 42580721) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole
PubChem CID42580721
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole
SMILESc1ccc([C@H](Cc2nnco2)c2ccco2)cc1
InChIInChI=1S/C14H12N2O2/c1-2-5-11(6-3-1)12(13-7-4-8-17-13)9-14-16-15-10-18-14/h1-8,10,12H,9H2/t12-/m0/s1
InChIKeyIVKUMZPRGHIWKT-LBPRGKRZSA-N
XLogP3.04
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole (CID 42580721) is 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole is c1ccc([C@H](Cc2nnco2)c2ccco2)cc1.
What is the InChIKey of 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole?
The InChIKey is IVKUMZPRGHIWKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-5-11(6-3-1)12(13-7-4-8-17-13)9-14-16-15-10-18-14/h1-8,10,12H,9H2/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole?
2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole has a molecular weight of 240.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42580721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).