N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine

C10H10Br2N2OS — CID 107966879

IUPACN-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2cc(Br)sc2Br)n1
InChIInChI=1S/C10H10Br2N2OS/c1-2-13-4-6-5-15-10(14-6)7-3-8(11)16-9(7)12/h3,5,13H,2,4H2,1H3
InChIKeyCIQMWJXBWKHYLI-UHFFFAOYSA-N
MW366.08 g/mol
LogP4.04
Rot. Bonds4

About N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 107966879) has the molecular formula C10H10Br2N2OS and a molecular weight of 366.08 g/mol. Its IUPAC name is N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID107966879
Molecular FormulaC10H10Br2N2OS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC NameN-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2cc(Br)sc2Br)n1
InChIInChI=1S/C10H10Br2N2OS/c1-2-13-4-6-5-15-10(14-6)7-3-8(11)16-9(7)12/h3,5,13H,2,4H2,1H3
InChIKeyCIQMWJXBWKHYLI-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288314
N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81117236
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81307525
N-[[2-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288222
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65287934
N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288410
N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
CID 65288463
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81307526
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376121
N-[[2-(3-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 113461101

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 107966879) is N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(-c2cc(Br)sc2Br)n1.
What is the InChIKey of N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is CIQMWJXBWKHYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2OS/c1-2-13-4-6-5-15-10(14-6)7-3-8(11)16-9(7)12/h3,5,13H,2,4H2,1H3.
What are the key properties of N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 366.08 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dibromothiophen-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 107966879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).