1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C18H16BrF2N3O2 — CID 78815340

IUPAC1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1nc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C18H16BrF2N3O2/c1-24(10-12-6-8-13(19)9-7-12)11-16-22-17(23-26-16)14-4-2-3-5-15(14)25-18(20)21/h2-9,18H,10-11H2,1H3
InChIKeyMHUHQCAOMPZJCO-UHFFFAOYSA-N
MW424.25 g/mol
LogP4.73
Rot. Bonds7

About 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 78815340) has the molecular formula C18H16BrF2N3O2 and a molecular weight of 424.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID78815340
Molecular FormulaC18H16BrF2N3O2
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC Name1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1nc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C18H16BrF2N3O2/c1-24(10-12-6-8-13(19)9-7-12)11-16-22-17(23-26-16)14-4-2-3-5-15(14)25-18(20)21/h2-9,18H,10-11H2,1H3
InChIKeyMHUHQCAOMPZJCO-UHFFFAOYSA-N
XLogP4.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 41294544
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 78816833
N-[(4-chlorophenyl)methyl]-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 78899478
N-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 55912720
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline
CID 78902293
4-[1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78815560
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 134038345
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51310511
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-3-ylmethyl)ethanamine
CID 78899357
N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropan-1-amine
CID 46458812
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 78850653

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 78815340) is 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is CN(Cc1ccc(Br)cc1)Cc1nc(-c2ccccc2OC(F)F)no1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is MHUHQCAOMPZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N3O2/c1-24(10-12-6-8-13(19)9-7-12)11-16-22-17(23-26-16)14-4-2-3-5-15(14)25-18(20)21/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 424.25 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 78815340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).