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

C13H15F2N3O2 — CID 104636559

IUPAC2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(-c2cc(C)c(F)cc2F)n1
InChIInChI=1S/C13H15F2N3O2/c1-7-4-8(10(15)5-9(7)14)11-17-12(18-20-11)13(2,16)6-19-3/h4-5H,6,16H2,1-3H3
InChIKeyZPZOTLDOVOXBEO-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.14
Rot. Bonds4

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

2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine (PubChem CID 104636559) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
PubChem CID104636559
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
SMILESCOCC(C)(N)c1noc(-c2cc(C)c(F)cc2F)n1
InChIInChI=1S/C13H15F2N3O2/c1-7-4-8(10(15)5-9(7)14)11-17-12(18-20-11)13(2,16)6-19-3/h4-5H,6,16H2,1-3H3
InChIKeyZPZOTLDOVOXBEO-UHFFFAOYSA-N
XLogP2.14
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine with MolForge

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Related Compounds

2-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636415
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636331
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 106689501
1-methoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636499
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 105064395
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636361
2-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104636965
2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The IUPAC name of 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine (CID 104636559) is 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine.
What is the SMILES notation for 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The canonical SMILES for 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine is COCC(C)(N)c1noc(-c2cc(C)c(F)cc2F)n1.
What is the InChIKey of 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
The InChIKey is ZPZOTLDOVOXBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-7-4-8(10(15)5-9(7)14)11-17-12(18-20-11)13(2,16)6-19-3/h4-5H,6,16H2,1-3H3.
What are the key properties of 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine?
2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine has a molecular weight of 283.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine is sourced from PubChem (CID 104636559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).