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

C12H15BrN2OS — CID 65183435

IUPACN-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2sccc2Br)o1
InChIInChI=1S/C12H15BrN2OS/c1-3-5-14-8(2)12-15-7-10(16-12)11-9(13)4-6-17-11/h4,6-8,14H,3,5H2,1-2H3
InChIKeyGAIQCRGVLDSMAO-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.23
Rot. Bonds5

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

N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65183435) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65183435
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(-c2sccc2Br)o1
InChIInChI=1S/C12H15BrN2OS/c1-3-5-14-8(2)12-15-7-10(16-12)11-9(13)4-6-17-11/h4,6-8,14H,3,5H2,1-2H3
InChIKeyGAIQCRGVLDSMAO-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183857
N-[1-[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183077
N-[1-[5-(5-methylfuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181303
N-[1-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182827
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
N-[1-[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181959
1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65181498
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545
1-[5-(2,5-dibromophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 114375998

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65183435) is N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(-c2sccc2Br)o1.
What is the InChIKey of N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is GAIQCRGVLDSMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-3-5-14-8(2)12-15-7-10(16-12)11-9(13)4-6-17-11/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 315.24 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65183435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).