3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole

C12H9FN4O2 — CID 167046849

IUPAC3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole
SMILESO=NCCc1nc(-c2c[nH]c3ccc(F)cc23)no1
InChIInChI=1S/C12H9FN4O2/c13-7-1-2-10-8(5-7)9(6-14-10)12-16-11(19-17-12)3-4-15-18/h1-2,5-6,14H,3-4H2
InChIKeyGTIZNMBEADBPIF-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.67
Rot. Bonds4

About 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole

3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole (PubChem CID 167046849) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole
PubChem CID167046849
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole
SMILESO=NCCc1nc(-c2c[nH]c3ccc(F)cc23)no1
InChIInChI=1S/C12H9FN4O2/c13-7-1-2-10-8(5-7)9(6-14-10)12-16-11(19-17-12)3-4-15-18/h1-2,5-6,14H,3-4H2
InChIKeyGTIZNMBEADBPIF-UHFFFAOYSA-N
XLogP2.67
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole (CID 167046849) is 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole is O=NCCc1nc(-c2c[nH]c3ccc(F)cc23)no1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole?
The InChIKey is GTIZNMBEADBPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-7-1-2-10-8(5-7)9(6-14-10)12-16-11(19-17-12)3-4-15-18/h1-2,5-6,14H,3-4H2.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole?
3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole has a molecular weight of 260.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-5-(2-nitrosoethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167046849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).