1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C11H12FN3O — CID 62137548

IUPAC1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C11H12FN3O/c1-13-7-11-15-14-10(16-11)6-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeySQXYGNMDQXTSBO-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.52
Rot. Bonds4

About 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62137548) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62137548
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C11H12FN3O/c1-13-7-11-15-14-10(16-11)6-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3
InChIKeySQXYGNMDQXTSBO-UHFFFAOYSA-N
XLogP1.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62137548) is 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(Cc2ccccc2F)o1.
What is the InChIKey of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is SQXYGNMDQXTSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-13-7-11-15-14-10(16-11)6-8-4-2-3-5-9(8)12/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 221.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62137548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).