5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C15H14FN3O2 — CID 72902714

IUPAC5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCn1c(-c2nc(C3CCOC3)no2)cc2cc(F)ccc21
InChIInChI=1S/C15H14FN3O2/c1-19-12-3-2-11(16)6-10(12)7-13(19)15-17-14(18-21-15)9-4-5-20-8-9/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyAHYXSAQDWVXDPF-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.87
Rot. Bonds2

About 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72902714) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72902714
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCn1c(-c2nc(C3CCOC3)no2)cc2cc(F)ccc21
InChIInChI=1S/C15H14FN3O2/c1-19-12-3-2-11(16)6-10(12)7-13(19)15-17-14(18-21-15)9-4-5-20-8-9/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyAHYXSAQDWVXDPF-UHFFFAOYSA-N
XLogP2.87
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-chloro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72905118
5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446011
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 131874849
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97445003
5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97454896
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72902714) is 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cn1c(-c2nc(C3CCOC3)no2)cc2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is AHYXSAQDWVXDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-19-12-3-2-11(16)6-10(12)7-13(19)15-17-14(18-21-15)9-4-5-20-8-9/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 287.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72902714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).