3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole

C15H18FN3O — CID 126767613

IUPAC3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(CN2CCc3ccc(F)cc32)n1
InChIInChI=1S/C15H18FN3O/c1-2-3-4-14-17-15(20-18-14)10-19-8-7-11-5-6-12(16)9-13(11)19/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyNANHNYIDGFTXAB-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.11
Rot. Bonds5

About 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole

3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 126767613) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID126767613
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCCc1noc(CN2CCc3ccc(F)cc32)n1
InChIInChI=1S/C15H18FN3O/c1-2-3-4-14-17-15(20-18-14)10-19-8-7-11-5-6-12(16)9-13(11)19/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyNANHNYIDGFTXAB-UHFFFAOYSA-N
XLogP3.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole (CID 126767613) is 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole is CCCCc1noc(CN2CCc3ccc(F)cc32)n1.
What is the InChIKey of 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is NANHNYIDGFTXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-3-4-14-17-15(20-18-14)10-19-8-7-11-5-6-12(16)9-13(11)19/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole?
3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126767613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).