1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C13H17N3O3 — CID 104636304

IUPAC1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-13(14,8-17-2)12-15-11(19-16-12)9-4-6-10(18-3)7-5-9/h4-7H,8,14H2,1-3H3
InChIKeyZWYMELNEJLTPDF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.57
Rot. Bonds5

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

1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636304) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636304
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-13(14,8-17-2)12-15-11(19-16-12)9-4-6-10(18-3)7-5-9/h4-7H,8,14H2,1-3H3
InChIKeyZWYMELNEJLTPDF-UHFFFAOYSA-N
XLogP1.57
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
2-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636331
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636361
2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324669
1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435625
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 106689501
1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 105064395
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594
4-[3-(2-amino-1-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104636619
1-methoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636499
2-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636415
2-[5-(3-fluoro-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636511

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636304) is 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is COCC(C)(N)c1noc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZWYMELNEJLTPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(14,8-17-2)12-15-11(19-16-12)9-4-6-10(18-3)7-5-9/h4-7H,8,14H2,1-3H3.
What are the key properties of 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 263.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).