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

C13H16FN3O — CID 64759381

IUPAC1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C13H16FN3O/c1-13(2,9-4-6-10(14)7-5-9)12-16-11(8-15-3)18-17-12/h4-7,15H,8H2,1-3H3
InChIKeyCQHBAAVLBRDIOJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.25
Rot. Bonds4

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

1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (PubChem CID 64759381) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
PubChem CID64759381
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C13H16FN3O/c1-13(2,9-4-6-10(14)7-5-9)12-16-11(8-15-3)18-17-12/h4-7,15H,8H2,1-3H3
InChIKeyCQHBAAVLBRDIOJ-UHFFFAOYSA-N
XLogP2.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (CID 64759381) is 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is CNCc1nc(C(C)(C)c2ccc(F)cc2)no1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The InChIKey is CQHBAAVLBRDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-13(2,9-4-6-10(14)7-5-9)12-16-11(8-15-3)18-17-12/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine has a molecular weight of 249.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 64759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).