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

C10H10Br2N2OS — CID 80538087

IUPACN-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C10H10Br2N2OS/c1-2-13-5-9-14-4-7(15-9)8-3-6(11)10(12)16-8/h3-4,13H,2,5H2,1H3
InChIKeyPVRUSCVUQJHCNG-UHFFFAOYSA-N
MW366.08 g/mol
LogP4.04
Rot. Bonds4

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

N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 80538087) has the molecular formula C10H10Br2N2OS and a molecular weight of 366.08 g/mol. Its IUPAC name is N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID80538087
Molecular FormulaC10H10Br2N2OS
Molecular Weight366.08 g/mol
Exact Mass363.89
IUPAC NameN-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C10H10Br2N2OS/c1-2-13-5-9-14-4-7(15-9)8-3-6(11)10(12)16-8/h3-4,13H,2,5H2,1H3
InChIKeyPVRUSCVUQJHCNG-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-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80538161
N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 80538321
3-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 80538064
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107994680
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107966691
[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 79997465
N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65178890
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
N-[3-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 79996430
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 79997125
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 82773672
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 80538087) is N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cc(Br)c(Br)s2)o1.
What is the InChIKey of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is PVRUSCVUQJHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2OS/c1-2-13-5-9-14-4-7(15-9)8-3-6(11)10(12)16-8/h3-4,13H,2,5H2,1H3.
What are the key properties of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-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-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 80538087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).