N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine

C15H12FN3O — CID 46342041

IUPACN-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCc2ccccc2)n1
InChIInChI=1S/C15H12FN3O/c16-13-9-5-4-8-12(13)14-18-15(20-19-14)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyBWYHMOZONJJIHQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.49
Rot. Bonds4

About N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine

N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 46342041) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID46342041
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1-c1noc(NCc2ccccc2)n1
InChIInChI=1S/C15H12FN3O/c16-13-9-5-4-8-12(13)14-18-15(20-19-14)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyBWYHMOZONJJIHQ-UHFFFAOYSA-N
XLogP3.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 46342041) is N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is Fc1ccccc1-c1noc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BWYHMOZONJJIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-9-5-4-8-12(13)14-18-15(20-19-14)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 269.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).