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

C13H16BrN3O2 — CID 54929392

IUPAC1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
SMILESCc1nnc(COc2ccc(Br)cc2CC(C)N)o1
InChIInChI=1S/C13H16BrN3O2/c1-8(15)5-10-6-11(14)3-4-12(10)18-7-13-17-16-9(2)19-13/h3-4,6,8H,5,7,15H2,1-2H3
InChIKeyQPKSAULXULFTAW-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.61
Rot. Bonds5

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

1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine (PubChem CID 54929392) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
PubChem CID54929392
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
SMILESCc1nnc(COc2ccc(Br)cc2CC(C)N)o1
InChIInChI=1S/C13H16BrN3O2/c1-8(15)5-10-6-11(14)3-4-12(10)18-7-13-17-16-9(2)19-13/h3-4,6,8H,5,7,15H2,1-2H3
InChIKeyQPKSAULXULFTAW-UHFFFAOYSA-N
XLogP2.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine
CID 60908029
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 102948491
1-[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60908429
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
(1R)-1-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936260
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 63325788
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936718
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
1-(5-bromo-2-prop-2-ynoxyphenyl)propan-2-amine
CID 60907451

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine (CID 54929392) is 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine is Cc1nnc(COc2ccc(Br)cc2CC(C)N)o1.
What is the InChIKey of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is QPKSAULXULFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-8(15)5-10-6-11(14)3-4-12(10)18-7-13-17-16-9(2)19-13/h3-4,6,8H,5,7,15H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 326.19 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 54929392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).