1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine

C11H13BrN2OS — CID 115646593

IUPAC1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCc1cc(CNCc2ccc(Br)s2)on1
InChIInChI=1S/C11H13BrN2OS/c1-2-8-5-9(15-14-8)6-13-7-10-3-4-11(12)16-10/h3-5,13H,2,6-7H2,1H3
InChIKeyCUEGFXAVCBAGCT-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.35
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 115646593) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID115646593
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCc1cc(CNCc2ccc(Br)s2)on1
InChIInChI=1S/C11H13BrN2OS/c1-2-8-5-9(15-14-8)6-13-7-10-3-4-11(12)16-10/h3-5,13H,2,6-7H2,1H3
InChIKeyCUEGFXAVCBAGCT-UHFFFAOYSA-N
XLogP3.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
CID 62347257
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(furan-3-yl)methanamine
CID 115646607
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
1-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275681
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111675751
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731897
N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 115761620
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
1-cyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 115677284
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine (CID 115646593) is 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine is CCc1cc(CNCc2ccc(Br)s2)on1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is CUEGFXAVCBAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-2-8-5-9(15-14-8)6-13-7-10-3-4-11(12)16-10/h3-5,13H,2,6-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 301.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115646593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).