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

C13H16FN3O — CID 114078701

IUPAC1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)Cc2cccc(F)c2)no1
InChIInChI=1S/C13H16FN3O/c1-9(6-11-4-3-5-12(14)7-11)15-8-13-16-10(2)18-17-13/h3-5,7,9,15H,6,8H2,1-2H3
InChIKeyGPPBPBZXMMUKJM-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.24
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine (PubChem CID 114078701) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
PubChem CID114078701
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
SMILESCc1nc(CNC(C)Cc2cccc(F)c2)no1
InChIInChI=1S/C13H16FN3O/c1-9(6-11-4-3-5-12(14)7-11)15-8-13-16-10(2)18-17-13/h3-5,7,9,15H,6,8H2,1-2H3
InChIKeyGPPBPBZXMMUKJM-UHFFFAOYSA-N
XLogP2.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 114015027
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 102673147
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 103901593
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 114015020
(1S)-1-(2-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103916398

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine (CID 114078701) is 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine is Cc1nc(CNC(C)Cc2cccc(F)c2)no1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
The InChIKey is GPPBPBZXMMUKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(6-11-4-3-5-12(14)7-11)15-8-13-16-10(2)18-17-13/h3-5,7,9,15H,6,8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine?
1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114078701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).