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

C15H20BrN3O2 — CID 115961024

IUPAC1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(C)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C15H20BrN3O2/c1-9(2)15-18-13(21-19-15)8-20-14-10(3)5-12(16)6-11(14)7-17-4/h5-6,9,17H,7-8H2,1-4H3
InChIKeyGPSXEYOUXRZDKP-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.56
Rot. Bonds6

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

1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 115961024) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID115961024
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(C)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C15H20BrN3O2/c1-9(2)15-18-13(21-19-15)8-20-14-10(3)5-12(16)6-11(14)7-17-4/h5-6,9,17H,7-8H2,1-4H3
InChIKeyGPSXEYOUXRZDKP-UHFFFAOYSA-N
XLogP3.56
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 115960864
N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961132
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368
1-[5-bromo-2-[(4-bromophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115960973
4-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]butanenitrile
CID 112620093
1-[5-bromo-2-(4-methoxybutoxy)-3-methylphenyl]-N-methylmethanamine
CID 104647188
1-(5-bromo-3-methyl-2-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 112620121
1-[3,5-dibromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741782
5-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 112620091
1-(5-bromo-3-methyl-2-octoxyphenyl)-N-methylmethanamine
CID 115960948
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115961108

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine (CID 115961024) is 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Br)cc(C)c1OCc1nc(C(C)C)no1.
What is the InChIKey of 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is GPSXEYOUXRZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-9(2)15-18-13(21-19-15)8-20-14-10(3)5-12(16)6-11(14)7-17-4/h5-6,9,17H,7-8H2,1-4H3.
What are the key properties of 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine?
1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 354.25 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 115961024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).