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

C17H14FN3O — CID 133482389

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESFc1ccc2c(c1)CCC2Nc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H14FN3O/c18-13-7-8-14-12(10-13)6-9-15(14)19-17-20-16(22-21-17)11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9H2,(H,19,21)
InChIKeyKSJBTCXAKSGHRE-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.98
Rot. Bonds3

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

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133482389) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133482389
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESFc1ccc2c(c1)CCC2Nc1noc(-c2ccccc2)n1
InChIInChI=1S/C17H14FN3O/c18-13-7-8-14-12(10-13)6-9-15(14)19-17-20-16(22-21-17)11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9H2,(H,19,21)
InChIKeyKSJBTCXAKSGHRE-UHFFFAOYSA-N
XLogP3.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133482389) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine is Fc1ccc2c(c1)CCC2Nc1noc(-c2ccccc2)n1.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is KSJBTCXAKSGHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-13-7-8-14-12(10-13)6-9-15(14)19-17-20-16(22-21-17)11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9H2,(H,19,21).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 295.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133482389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).