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

C15H20BrN3O2 — CID 60881052

IUPACN-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C15H20BrN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3
InChIKeyBXVHNUJBVDPOKK-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.47
Rot. Bonds8

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

N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 60881052) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID60881052
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)ccc1OCc1nnc(CC)o1
InChIInChI=1S/C15H20BrN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3
InChIKeyBXVHNUJBVDPOKK-UHFFFAOYSA-N
XLogP3.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695794
N-[[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 18778240
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
N-[[5-bromo-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66139711
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-1-amine
CID 54935828
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetonitrile
CID 60883116
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
1-[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 62392990
6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702343

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 60881052) is N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cc(Br)ccc1OCc1nnc(CC)o1.
What is the InChIKey of N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is BXVHNUJBVDPOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-3-7-17-9-11-8-12(16)5-6-13(11)20-10-15-19-18-14(4-2)21-15/h5-6,8,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 354.25 g/mol, XLogP of 3.47, 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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60881052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).