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

C11H13BrN2OS — CID 65183857

IUPACN-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2sccc2Br)o1
InChIInChI=1S/C11H13BrN2OS/c1-7(2)13-6-10-14-5-9(15-10)11-8(12)3-4-16-11/h3-5,7,13H,6H2,1-2H3
InChIKeyXQWLRTXBUPKOOU-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.66
Rot. Bonds4

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

N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65183857) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65183857
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC NameN-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2sccc2Br)o1
InChIInChI=1S/C11H13BrN2OS/c1-7(2)13-6-10-14-5-9(15-10)11-8(12)3-4-16-11/h3-5,7,13H,6H2,1-2H3
InChIKeyXQWLRTXBUPKOOU-UHFFFAOYSA-N
XLogP3.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.66
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]propan-2-amine?
The IUPAC name of N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65183857) is N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(-c2sccc2Br)o1.
What is the InChIKey of N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is XQWLRTXBUPKOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-7(2)13-6-10-14-5-9(15-10)11-8(12)3-4-16-11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 301.21 g/mol, XLogP of 3.66, 4 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]propan-2-amine is sourced from PubChem (CID 65183857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).