2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine

C13H17N3O3 — CID 106109190

IUPAC2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1ccc(Cc2noc(C(CN)OC)n2)cc1
InChIInChI=1S/C13H17N3O3/c1-17-10-5-3-9(4-6-10)7-12-15-13(19-16-12)11(8-14)18-2/h3-6,11H,7-8,14H2,1-2H3
InChIKeyGLTLUFQORJWIRQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.32
Rot. Bonds6

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

2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 106109190) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID106109190
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1ccc(Cc2noc(C(CN)OC)n2)cc1
InChIInChI=1S/C13H17N3O3/c1-17-10-5-3-9(4-6-10)7-12-15-13(19-16-12)11(8-14)18-2/h3-6,11H,7-8,14H2,1-2H3
InChIKeyGLTLUFQORJWIRQ-UHFFFAOYSA-N
XLogP1.32
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144520
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320
N-ethyl-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62852253
2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106109360
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
4-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685926
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
2-methoxy-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144549
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55105697
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65222625
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 128994619

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 106109190) is 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is COc1ccc(Cc2noc(C(CN)OC)n2)cc1.
What is the InChIKey of 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GLTLUFQORJWIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-10-5-3-9(4-6-10)7-12-15-13(19-16-12)11(8-14)18-2/h3-6,11H,7-8,14H2,1-2H3.
What are the key properties of 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 106109190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).