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

C15H20BrN3O2 — CID 63057175

IUPACN-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1noc(COc2ccc(Br)cc2CNC(C)(C)C)n1
InChIInChI=1S/C15H20BrN3O2/c1-10-18-14(21-19-10)9-20-13-6-5-12(16)7-11(13)8-17-15(2,3)4/h5-7,17H,8-9H2,1-4H3
InChIKeyMEECTMJGKLWHRD-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.61
Rot. Bonds5

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

N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63057175) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63057175
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1noc(COc2ccc(Br)cc2CNC(C)(C)C)n1
InChIInChI=1S/C15H20BrN3O2/c1-10-18-14(21-19-10)9-20-13-6-5-12(16)7-11(13)8-17-15(2,3)4/h5-7,17H,8-9H2,1-4H3
InChIKeyMEECTMJGKLWHRD-UHFFFAOYSA-N
XLogP3.61
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61013628
N-[[3-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63060114
N-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63057171
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-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63485288
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114319883
N-[[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983199
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
N-[[5-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60883701
6-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702576

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-methylpropan-2-amine?
The IUPAC name of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 63057175) is N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is Cc1noc(COc2ccc(Br)cc2CNC(C)(C)C)n1.
What is the InChIKey of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MEECTMJGKLWHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10-18-14(21-19-10)9-20-13-6-5-12(16)7-11(13)8-17-15(2,3)4/h5-7,17H,8-9H2,1-4H3.
What are the key properties of N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 354.25 g/mol, XLogP of 3.61, 5 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-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63057175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).