5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C14H12FN3O2 — CID 86782609

IUPAC5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1Cc1nnc(NCc2ccco2)o1
InChIInChI=1S/C14H12FN3O2/c15-12-6-2-1-4-10(12)8-13-17-18-14(20-13)16-9-11-5-3-7-19-11/h1-7H,8-9H2,(H,16,18)
InChIKeyIBYZYCIEPKXTBG-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.00
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86782609) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID86782609
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccccc1Cc1nnc(NCc2ccco2)o1
InChIInChI=1S/C14H12FN3O2/c15-12-6-2-1-4-10(12)8-13-17-18-14(20-13)16-9-11-5-3-7-19-11/h1-7H,8-9H2,(H,16,18)
InChIKeyIBYZYCIEPKXTBG-UHFFFAOYSA-N
XLogP3.00
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 86782609) is 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is Fc1ccccc1Cc1nnc(NCc2ccco2)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IBYZYCIEPKXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-12-6-2-1-4-10(12)8-13-17-18-14(20-13)16-9-11-5-3-7-19-11/h1-7H,8-9H2,(H,16,18).
What are the key properties of 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 273.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).