1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

C20H16FN3O2 — CID 46339180

IUPAC1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESFc1ccccc1C(NCc1ccco1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16FN3O2/c21-17-11-5-4-10-16(17)18(22-13-15-9-6-12-25-15)20-24-23-19(26-20)14-7-2-1-3-8-14/h1-12,18,22H,13H2
InChIKeyOYMODMCUSYEYFM-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.35
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 46339180) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID46339180
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESFc1ccccc1C(NCc1ccco1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16FN3O2/c21-17-11-5-4-10-16(17)18(22-13-15-9-6-12-25-15)20-24-23-19(26-20)14-7-2-1-3-8-14/h1-12,18,22H,13H2
InChIKeyOYMODMCUSYEYFM-UHFFFAOYSA-N
XLogP4.35
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 46339180) is 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is Fc1ccccc1C(NCc1ccco1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is OYMODMCUSYEYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-11-5-4-10-16(17)18(22-13-15-9-6-12-25-15)20-24-23-19(26-20)14-7-2-1-3-8-14/h1-12,18,22H,13H2.
What are the key properties of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 349.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 46339180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).