2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine

C13H12N2OS — CID 65178974

IUPAC2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2csc3ccccc23)o1
InChIInChI=1S/C13H12N2OS/c14-6-5-13-15-7-11(16-13)10-8-17-12-4-2-1-3-9(10)12/h1-4,7-8H,5-6,14H2
InChIKeyCCLHBDHBRNXAGK-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.06
Rot. Bonds3

About 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine

2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178974) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178974
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2csc3ccccc23)o1
InChIInChI=1S/C13H12N2OS/c14-6-5-13-15-7-11(16-13)10-8-17-12-4-2-1-3-9(10)12/h1-4,7-8H,5-6,14H2
InChIKeyCCLHBDHBRNXAGK-UHFFFAOYSA-N
XLogP3.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65184230
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
2-[5-(2-methylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179075
1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 60500829
2-[5-(5-tert-butyl-2-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049649
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 102811468
5-(1-benzothiophen-3-yl)furan-2-carboxylic acid
CID 4189591
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178534

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65178974) is 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(-c2csc3ccccc23)o1.
What is the InChIKey of 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is CCLHBDHBRNXAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-6-5-13-15-7-11(16-13)10-8-17-12-4-2-1-3-9(10)12/h1-4,7-8H,5-6,14H2.
What are the key properties of 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65178974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).