1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine

C13H16FN3O2 — CID 62479151

IUPAC1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C13H16FN3O2/c1-8-3-4-9(14)7-10(8)12-16-13(19-17-12)11(15)5-6-18-2/h3-4,7,11H,5-6,15H2,1-2H3
InChIKeyRICCAXHFEPSGMN-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine

1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine (PubChem CID 62479151) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
PubChem CID62479151
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C13H16FN3O2/c1-8-3-4-9(14)7-10(8)12-16-13(19-17-12)11(15)5-6-18-2/h3-4,7,11H,5-6,15H2,1-2H3
InChIKeyRICCAXHFEPSGMN-UHFFFAOYSA-N
XLogP2.22
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine (CID 62479151) is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine is COCCC(N)c1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
The InChIKey is RICCAXHFEPSGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8-3-4-9(14)7-10(8)12-16-13(19-17-12)11(15)5-6-18-2/h3-4,7,11H,5-6,15H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine has a molecular weight of 265.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62479151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).