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

C14H16BrN3O2 — CID 61497257

IUPAC1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H16BrN3O2/c1-16-7-10-3-2-4-11(15)13(10)19-8-12-17-14(20-18-12)9-5-6-9/h2-4,9,16H,5-8H2,1H3
InChIKeyRKZQKGIOEJUNSR-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.01
Rot. Bonds6

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

1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 61497257) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID61497257
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H16BrN3O2/c1-16-7-10-3-2-4-11(15)13(10)19-8-12-17-14(20-18-12)9-5-6-9/h2-4,9,16H,5-8H2,1H3
InChIKeyRKZQKGIOEJUNSR-UHFFFAOYSA-N
XLogP3.01
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 61497106
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
1-[3-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157422
N-[[3-bromo-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045674
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103133008
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419
1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61390155
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine (CID 61497257) is 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCc1noc(C2CC2)n1.
What is the InChIKey of 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is RKZQKGIOEJUNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-16-7-10-3-2-4-11(15)13(10)19-8-12-17-14(20-18-12)9-5-6-9/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 338.21 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61497257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).