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

C15H19BrN2O3 — CID 63056849

IUPACN-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Br)ccc1OCc1cc(C)no1
InChIInChI=1S/C15H19BrN2O3/c1-11-7-14(21-18-11)10-20-15-4-3-13(16)8-12(15)9-17-5-6-19-2/h3-4,7-8,17H,5-6,9-10H2,1-2H3
InChIKeyYXSDTBFEFVVPBI-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.06
Rot. Bonds8

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

N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 63056849) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID63056849
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC NameN-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Br)ccc1OCc1cc(C)no1
InChIInChI=1S/C15H19BrN2O3/c1-11-7-14(21-18-11)10-20-15-4-3-13(16)8-12(15)9-17-5-6-19-2/h3-4,7-8,17H,5-6,9-10H2,1-2H3
InChIKeyYXSDTBFEFVVPBI-UHFFFAOYSA-N
XLogP3.06
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056676
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
N-[[5-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 113473381
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
N-[[5-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696919
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053957
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63056501
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-1-amine
CID 54935828
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 63056849) is N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(Br)ccc1OCc1cc(C)no1.
What is the InChIKey of N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is YXSDTBFEFVVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-11-7-14(21-18-11)10-20-15-4-3-13(16)8-12(15)9-17-5-6-19-2/h3-4,7-8,17H,5-6,9-10H2,1-2H3.
What are the key properties of N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 355.23 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63056849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).