[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine

C13H16BrN3O3 — CID 60888899

IUPAC[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
SMILESCCc1nnc(COc2c(Br)cc(CN)cc2OC)o1
InChIInChI=1S/C13H16BrN3O3/c1-3-11-16-17-12(20-11)7-19-13-9(14)4-8(6-15)5-10(13)18-2/h4-5H,3,6-7,15H2,1-2H3
InChIKeyXNVSQZMORQLTDG-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.44
Rot. Bonds6

About [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine

[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 60888899) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID60888899
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
SMILESCCc1nnc(COc2c(Br)cc(CN)cc2OC)o1
InChIInChI=1S/C13H16BrN3O3/c1-3-11-16-17-12(20-11)7-19-13-9(14)4-8(6-15)5-10(13)18-2/h4-5H,3,6-7,15H2,1-2H3
InChIKeyXNVSQZMORQLTDG-UHFFFAOYSA-N
XLogP2.44
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine with MolForge

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Related Compounds

[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]methanamine
CID 61497302
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910
[3-bromo-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 43622608
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041278
[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 60889266
[3-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61497341
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 60905967
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine (CID 60888899) is [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine is CCc1nnc(COc2c(Br)cc(CN)cc2OC)o1.
What is the InChIKey of [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is XNVSQZMORQLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-3-11-16-17-12(20-11)7-19-13-9(14)4-8(6-15)5-10(13)18-2/h4-5H,3,6-7,15H2,1-2H3.
What are the key properties of [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine?
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 342.19 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60888899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).