N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

C14H18BrN3O3 — CID 63056676

IUPACN-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Br)ccc1OCc1nc(C)no1
InChIInChI=1S/C14H18BrN3O3/c1-10-17-14(21-18-10)9-20-13-4-3-12(15)7-11(13)8-16-5-6-19-2/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyYWSSADOHRBEYKB-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.46
Rot. Bonds8

About N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 63056676) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID63056676
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC NameN-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Br)ccc1OCc1nc(C)no1
InChIInChI=1S/C14H18BrN3O3/c1-10-17-14(21-18-10)9-20-13-4-3-12(15)7-11(13)8-16-5-6-19-2/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyYWSSADOHRBEYKB-UHFFFAOYSA-N
XLogP2.46
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056849
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057175
1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61013628
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-[[5-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60883701
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180
N-[[5-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 113473381
N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62393061
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-1-amine
CID 54935828
N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881052

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 63056676) is N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(Br)ccc1OCc1nc(C)no1.
What is the InChIKey of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is YWSSADOHRBEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-10-17-14(21-18-10)9-20-13-4-3-12(15)7-11(13)8-16-5-6-19-2/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 356.22 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63056676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).