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

C14H18FN3O — CID 102612968

IUPAC1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCc1noc(CCNC(C)Cc2ccccc2F)n1
InChIInChI=1S/C14H18FN3O/c1-10(9-12-5-3-4-6-13(12)15)16-8-7-14-17-11(2)18-19-14/h3-6,10,16H,7-9H2,1-2H3
InChIKeyXEQVEHLNRMBTIK-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.28
Rot. Bonds6

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

1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 102612968) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID102612968
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCc1noc(CCNC(C)Cc2ccccc2F)n1
InChIInChI=1S/C14H18FN3O/c1-10(9-12-5-3-4-6-13(12)15)16-8-7-14-17-11(2)18-19-14/h3-6,10,16H,7-9H2,1-2H3
InChIKeyXEQVEHLNRMBTIK-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 102612968) is 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is Cc1noc(CCNC(C)Cc2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is XEQVEHLNRMBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(9-12-5-3-4-6-13(12)15)16-8-7-14-17-11(2)18-19-14/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102612968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).