1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C13H16FN3O2 — CID 82624860

IUPAC1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOc1c(F)cccc1-c1noc(C(N)C(C)C)n1
InChIInChI=1S/C13H16FN3O2/c1-7(2)10(15)13-16-12(17-19-13)8-5-4-6-9(14)11(8)18-3/h4-7,10H,15H2,1-3H3
InChIKeyAVVGTXXNMNDDCF-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.54
Rot. Bonds4

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

1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 82624860) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID82624860
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOc1c(F)cccc1-c1noc(C(N)C(C)C)n1
InChIInChI=1S/C13H16FN3O2/c1-7(2)10(15)13-16-12(17-19-13)8-5-4-6-9(14)11(8)18-3/h4-7,10H,15H2,1-3H3
InChIKeyAVVGTXXNMNDDCF-UHFFFAOYSA-N
XLogP2.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62717069
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 170566578
1-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107537233
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63352229
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771
(1R)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103399515
3-(3-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624435
5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95904228
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 82624860) is 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is COc1c(F)cccc1-c1noc(C(N)C(C)C)n1.
What is the InChIKey of 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is AVVGTXXNMNDDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(2)10(15)13-16-12(17-19-13)8-5-4-6-9(14)11(8)18-3/h4-7,10H,15H2,1-3H3.
What are the key properties of 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 265.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 82624860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).