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

C18H13F4N3O — CID 71881958

IUPAC5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc2c(c1)N(Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2
InChIInChI=1S/C18H13F4N3O/c19-14-6-3-11-7-8-25(15(11)9-14)10-16-23-17(24-26-16)12-1-4-13(5-2-12)18(20,21)22/h1-6,9H,7-8,10H2
InChIKeyNAYBENDHDXSXKJ-UHFFFAOYSA-N
MW363.31 g/mol
LogP4.46
Rot. Bonds3

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

5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 71881958) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID71881958
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc2c(c1)N(Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2
InChIInChI=1S/C18H13F4N3O/c19-14-6-3-11-7-8-25(15(11)9-14)10-16-23-17(24-26-16)12-1-4-13(5-2-12)18(20,21)22/h1-6,9H,7-8,10H2
InChIKeyNAYBENDHDXSXKJ-UHFFFAOYSA-N
XLogP4.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103815804
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
5-(azepan-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6485769
5-[(4-fluorophenyl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55530125
(2R,6S)-2,6-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 25310094
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32741986
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32655601
5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 47089231
5-(imidazol-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32742768
3,3-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 55987247
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103494165
5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 155948405

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 71881958) is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Fc1ccc2c(c1)N(Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is NAYBENDHDXSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-14-6-3-11-7-8-25(15(11)9-14)10-16-23-17(24-26-16)12-1-4-13(5-2-12)18(20,21)22/h1-6,9H,7-8,10H2.
What are the key properties of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 363.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71881958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).