3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C24H20N4O2 — CID 136601943

IUPAC3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(-c4noc(=O)[nH]4)n3)c2cc1C
InChIInChI=1S/C24H20N4O2/c1-14-11-18-19(13-17-9-6-10-20(25-17)23-27-24(29)30-28-23)22(16-7-4-3-5-8-16)26-21(18)12-15(14)2/h3-12,26H,13H2,1-2H3,(H,27,28,29)
InChIKeyAXCFNMLNOAXSDO-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.78
Rot. Bonds4

About 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136601943) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID136601943
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(-c4noc(=O)[nH]4)n3)c2cc1C
InChIInChI=1S/C24H20N4O2/c1-14-11-18-19(13-17-9-6-10-20(25-17)23-27-24(29)30-28-23)22(16-7-4-3-5-8-16)26-21(18)12-15(14)2/h3-12,26H,13H2,1-2H3,(H,27,28,29)
InChIKeyAXCFNMLNOAXSDO-UHFFFAOYSA-N
XLogP4.78
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 136601943) is 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is Cc1cc2[nH]c(-c3ccccc3)c(Cc3cccc(-c4noc(=O)[nH]4)n3)c2cc1C.
What is the InChIKey of 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is AXCFNMLNOAXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-14-11-18-19(13-17-9-6-10-20(25-17)23-27-24(29)30-28-23)22(16-7-4-3-5-8-16)26-21(18)12-15(14)2/h3-12,26H,13H2,1-2H3,(H,27,28,29).
What are the key properties of 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?
3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 396.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(5,6-dimethyl-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136601943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).