5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C13H14FN3O — CID 113261141

IUPAC5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1noc(CNC2CCc3cc(F)ccc32)n1
InChIInChI=1S/C13H14FN3O/c1-8-16-13(18-17-8)7-15-12-5-2-9-6-10(14)3-4-11(9)12/h3-4,6,12,15H,2,5,7H2,1H3
InChIKeyBQIMHTLYPOLYDC-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.29
Rot. Bonds3

About 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113261141) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113261141
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1noc(CNC2CCc3cc(F)ccc32)n1
InChIInChI=1S/C13H14FN3O/c1-8-16-13(18-17-8)7-15-12-5-2-9-6-10(14)3-4-11(9)12/h3-4,6,12,15H,2,5,7H2,1H3
InChIKeyBQIMHTLYPOLYDC-UHFFFAOYSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 113261141) is 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1noc(CNC2CCc3cc(F)ccc32)n1.
What is the InChIKey of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BQIMHTLYPOLYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-16-13(18-17-8)7-15-12-5-2-9-6-10(14)3-4-11(9)12/h3-4,6,12,15H,2,5,7H2,1H3.
What are the key properties of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113261141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).