3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole

C14H14FN3O — CID 116619906

IUPAC3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cn2ccc3ccc(F)cc32)no1
InChIInChI=1S/C14H14FN3O/c1-9(2)14-16-13(17-19-14)8-18-6-5-10-3-4-11(15)7-12(10)18/h3-7,9H,8H2,1-2H3
InChIKeyPXZODEFEVLMHIB-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.34
Rot. Bonds3

About 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 116619906) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID116619906
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cn2ccc3ccc(F)cc32)no1
InChIInChI=1S/C14H14FN3O/c1-9(2)14-16-13(17-19-14)8-18-6-5-10-3-4-11(15)7-12(10)18/h3-7,9H,8H2,1-2H3
InChIKeyPXZODEFEVLMHIB-UHFFFAOYSA-N
XLogP3.34
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
6-phenoxy-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-one
CID 100712200
6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole
CID 116619780
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
CID 62223686
4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 156790234
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116621916
1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole
CID 116619782
cobalt;1-ethyl-6-fluoroindole
CID 58657570
(1S)-1-[4-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78935724

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 116619906) is 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(Cn2ccc3ccc(F)cc32)no1.
What is the InChIKey of 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is PXZODEFEVLMHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9(2)14-16-13(17-19-14)8-18-6-5-10-3-4-11(15)7-12(10)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 259.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroindol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116619906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).