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

C12H14Br2N2OS — CID 80538161

IUPACN-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C12H14Br2N2OS/c1-7(2)4-15-6-11-16-5-9(17-11)10-3-8(13)12(14)18-10/h3,5,7,15H,4,6H2,1-2H3
InChIKeyVQYAMYSWQDOGAQ-UHFFFAOYSA-N
MW394.13 g/mol
LogP4.67
Rot. Bonds5

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

N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 80538161) has the molecular formula C12H14Br2N2OS and a molecular weight of 394.13 g/mol. Its IUPAC name is N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID80538161
Molecular FormulaC12H14Br2N2OS
Molecular Weight394.13 g/mol
Exact Mass391.92
IUPAC NameN-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(-c2cc(Br)c(Br)s2)o1
InChIInChI=1S/C12H14Br2N2OS/c1-7(2)4-15-6-11-16-5-9(17-11)10-3-8(13)12(14)18-10/h3,5,7,15H,4,6H2,1-2H3
InChIKeyVQYAMYSWQDOGAQ-UHFFFAOYSA-N
XLogP4.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.13
LogP ≤ 54.67
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]ethanamine
CID 80538087
N-[3-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 79996430
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181456
N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81128594
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994699
N-[[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994715
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
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181413
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 80538161) is N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(-c2cc(Br)c(Br)s2)o1.
What is the InChIKey of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VQYAMYSWQDOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2OS/c1-7(2)4-15-6-11-16-5-9(17-11)10-3-8(13)12(14)18-10/h3,5,7,15H,4,6H2,1-2H3.
What are the key properties of N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 394.13 g/mol, XLogP of 4.67, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 80538161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).