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

C12H15BrN2OS — CID 65287912

IUPACN-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(-c2sccc2Br)n1
InChIInChI=1S/C12H15BrN2OS/c1-12(2,3)14-6-8-7-16-11(15-8)10-9(13)4-5-17-10/h4-5,7,14H,6H2,1-3H3
InChIKeyVCSDEDVNGAKVAY-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.05
Rot. Bonds3

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

N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65287912) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID65287912
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(-c2sccc2Br)n1
InChIInChI=1S/C12H15BrN2OS/c1-12(2,3)14-6-8-7-16-11(15-8)10-9(13)4-5-17-10/h4-5,7,14H,6H2,1-3H3
InChIKeyVCSDEDVNGAKVAY-UHFFFAOYSA-N
XLogP4.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 65287912) is N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc(-c2sccc2Br)n1.
What is the InChIKey of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VCSDEDVNGAKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-12(2,3)14-6-8-7-16-11(15-8)10-9(13)4-5-17-10/h4-5,7,14H,6H2,1-3H3.
What are the key properties of N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 315.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).