6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

C18H19N3O3 — CID 171359584

IUPAC6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)cc(=O)[nH]1
InChIInChI=1S/C18H19N3O3/c1-3-14-10-13(11-16(22)19-14)18-20-17(21-24-18)15(23-2)9-12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyOGWRGLPAKQJJDN-HNNXBMFYSA-N
MW325.37 g/mol
LogP2.92
Rot. Bonds6

About 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 171359584) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID171359584
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCCc1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)cc(=O)[nH]1
InChIInChI=1S/C18H19N3O3/c1-3-14-10-13(11-16(22)19-14)18-20-17(21-24-18)15(23-2)9-12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyOGWRGLPAKQJJDN-HNNXBMFYSA-N
XLogP2.92
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 171359584) is 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is CCc1cc(-c2nc([C@H](Cc3ccccc3)OC)no2)cc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is OGWRGLPAKQJJDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-14-10-13(11-16(22)19-14)18-20-17(21-24-18)15(23-2)9-12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[3-[(1S)-1-methoxy-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 171359584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).