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

C14H18BrN3O2 — CID 115960864

IUPAC[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C14H18BrN3O2/c1-8(2)14-17-12(20-18-14)7-19-13-9(3)4-11(15)5-10(13)6-16/h4-5,8H,6-7,16H2,1-3H3
InChIKeyWRRPYEJORUUEAC-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.30
Rot. Bonds5

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

[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 115960864) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID115960864
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C14H18BrN3O2/c1-8(2)14-17-12(20-18-14)7-19-13-9(3)4-11(15)5-10(13)6-16/h4-5,8H,6-7,16H2,1-3H3
InChIKeyWRRPYEJORUUEAC-UHFFFAOYSA-N
XLogP3.30
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

1-[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 115961024
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368
[5-bromo-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]methanamine
CID 112619754
[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619707
[5-bromo-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112619895
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961132
2-[5-bromo-3-methyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 115962723
2-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 63326402
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (CID 115960864) is [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is Cc1cc(Br)cc(CN)c1OCc1nc(C(C)C)no1.
What is the InChIKey of [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is WRRPYEJORUUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8(2)14-17-12(20-18-14)7-19-13-9(3)4-11(15)5-10(13)6-16/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 340.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 115960864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).