5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

C16H11FN4O2 — CID 167759131

IUPAC5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCc1cc(F)c2cc(-c3nc(-c4ccc(=O)[nH]c4)no3)[nH]c2c1
InChIInChI=1S/C16H11FN4O2/c1-8-4-11(17)10-6-13(19-12(10)5-8)16-20-15(21-23-16)9-2-3-14(22)18-7-9/h2-7,19H,1H3,(H,18,22)
InChIKeyIJDDXPCTRDRZDU-UHFFFAOYSA-N
MW310.29 g/mol
LogP3.02
Rot. Bonds2

About 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 167759131) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID167759131
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCc1cc(F)c2cc(-c3nc(-c4ccc(=O)[nH]c4)no3)[nH]c2c1
InChIInChI=1S/C16H11FN4O2/c1-8-4-11(17)10-6-13(19-12(10)5-8)16-20-15(21-23-16)9-2-3-14(22)18-7-9/h2-7,19H,1H3,(H,18,22)
InChIKeyIJDDXPCTRDRZDU-UHFFFAOYSA-N
XLogP3.02
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136710786
5-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 136666197
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
5-(6-chloro-5-methyl-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
CID 167835927
7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065581
5-[3-(1-amino-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136966696
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
5-[3-(2-aminobutan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710763
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 167759131) is 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is Cc1cc(F)c2cc(-c3nc(-c4ccc(=O)[nH]c4)no3)[nH]c2c1.
What is the InChIKey of 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is IJDDXPCTRDRZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c1-8-4-11(17)10-6-13(19-12(10)5-8)16-20-15(21-23-16)9-2-3-14(22)18-7-9/h2-7,19H,1H3,(H,18,22).
What are the key properties of 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 310.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluoro-6-methyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167759131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).