[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine

C13H16BrN3O2 — CID 112619707

IUPAC[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
SMILESCCc1nnc(COc2c(C)cc(Br)cc2CN)o1
InChIInChI=1S/C13H16BrN3O2/c1-3-11-16-17-12(19-11)7-18-13-8(2)4-10(14)5-9(13)6-15/h4-5H,3,6-7,15H2,1-2H3
InChIKeyQJQMOIKROXFKJA-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.74
Rot. Bonds5

About [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine

[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine (PubChem CID 112619707) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
PubChem CID112619707
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
SMILESCCc1nnc(COc2c(C)cc(Br)cc2CN)o1
InChIInChI=1S/C13H16BrN3O2/c1-3-11-16-17-12(19-11)7-18-13-8(2)4-10(14)5-9(13)6-15/h4-5H,3,6-7,15H2,1-2H3
InChIKeyQJQMOIKROXFKJA-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-bromo-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]methanamine
CID 112619754
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878
N-[[5-bromo-3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961239
[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 115960864
[5-bromo-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112619895
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile
CID 65454488
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
(5-bromo-2-hexoxy-3-methylphenyl)methanamine
CID 112619692
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
[5-bromo-2-(3-ethoxypropoxy)-3-methylphenyl]methanamine
CID 112619829

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine (CID 112619707) is [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine is CCc1nnc(COc2c(C)cc(Br)cc2CN)o1.
What is the InChIKey of [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is QJQMOIKROXFKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-3-11-16-17-12(19-11)7-18-13-8(2)4-10(14)5-9(13)6-15/h4-5H,3,6-7,15H2,1-2H3.
What are the key properties of [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine?
[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 326.19 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 112619707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).