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

C12H15BrN2OS — CID 65184219

IUPACN-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2sccc2Br)o1
InChIInChI=1S/C12H15BrN2OS/c1-12(2,3)15-7-10-14-6-9(16-10)11-8(13)4-5-17-11/h4-6,15H,7H2,1-3H3
InChIKeyUQLVQRVPFNETNA-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.05
Rot. Bonds3

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

N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65184219) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65184219
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2sccc2Br)o1
InChIInChI=1S/C12H15BrN2OS/c1-12(2,3)15-7-10-14-6-9(16-10)11-8(13)4-5-17-11/h4-6,15H,7H2,1-3H3
InChIKeyUQLVQRVPFNETNA-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-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 65184219) is N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncc(-c2sccc2Br)o1.
What is the InChIKey of N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UQLVQRVPFNETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-12(2,3)15-7-10-14-6-9(16-10)11-8(13)4-5-17-11/h4-6,15H,7H2,1-3H3.
What are the key properties of N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-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-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65184219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).