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

C14H18BrN3O3 — CID 61497303

IUPAC1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCCc1nc(COc2c(Br)cc(CNC)cc2OC)no1
InChIInChI=1S/C14H18BrN3O3/c1-4-13-17-12(18-21-13)8-20-14-10(15)5-9(7-16-2)6-11(14)19-3/h5-6,16H,4,7-8H2,1-3H3
InChIKeyWWDHSJAEOJOUEB-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.70
Rot. Bonds7

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

1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 61497303) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
PubChem CID61497303
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCCc1nc(COc2c(Br)cc(CNC)cc2OC)no1
InChIInChI=1S/C14H18BrN3O3/c1-4-13-17-12(18-21-13)8-20-14-10(15)5-9(7-16-2)6-11(14)19-3/h5-6,16H,4,7-8H2,1-3H3
InChIKeyWWDHSJAEOJOUEB-UHFFFAOYSA-N
XLogP2.70
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine 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-bromo-5-ethoxy-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61497341
[3,5-dibromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 107741561
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
1-[3,5-dibromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741782
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 60881866
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 61497343
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109
1-[3-bromo-5-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 102880382
1-[3-bromo-5-methoxy-4-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449961
[3-bromo-5-ethoxy-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 43627156
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66045193

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (CID 61497303) is 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is CCc1nc(COc2c(Br)cc(CNC)cc2OC)no1.
What is the InChIKey of 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is WWDHSJAEOJOUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-4-13-17-12(18-21-13)8-20-14-10(15)5-9(7-16-2)6-11(14)19-3/h5-6,16H,4,7-8H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 356.22 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 61497303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).