1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C12H16BrN3OS — CID 62461546

IUPAC1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN(C)Cc2csc(Br)c2)on1
InChIInChI=1S/C12H16BrN3OS/c1-14-5-10-4-11(17-15-10)7-16(2)6-9-3-12(13)18-8-9/h3-4,8,14H,5-7H2,1-2H3
InChIKeyZASKGSXKVPMZNA-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.85
Rot. Bonds6

About 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62461546) has the molecular formula C12H16BrN3OS and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62461546
Molecular FormulaC12H16BrN3OS
Molecular Weight330.25 g/mol
Exact Mass329.02
IUPAC Name1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN(C)Cc2csc(Br)c2)on1
InChIInChI=1S/C12H16BrN3OS/c1-14-5-10-4-11(17-15-10)7-16(2)6-9-3-12(13)18-8-9/h3-4,8,14H,5-7H2,1-2H3
InChIKeyZASKGSXKVPMZNA-UHFFFAOYSA-N
XLogP2.85
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462608
N,3,5-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62462339
6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79244017
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62463688
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600
1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N,3,3-trimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-2-amine
CID 55073917
1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80609531
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[4-(methylaminomethyl)phenoxy]ethanamine
CID 62462077
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62463135
N-[(5-bromothiophen-3-yl)methyl]-2,6-difluoro-N-methyl-4-(methylaminomethyl)aniline
CID 63076277

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62461546) is 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(CN(C)Cc2csc(Br)c2)on1.
What is the InChIKey of 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is ZASKGSXKVPMZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3OS/c1-14-5-10-4-11(17-15-10)7-16(2)6-9-3-12(13)18-8-9/h3-4,8,14H,5-7H2,1-2H3.
What are the key properties of 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 330.25 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62461546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).