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

C15H16N2OS — CID 103275174

IUPAC1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2csc3ccccc23)o1
InChIInChI=1S/C15H16N2OS/c1-2-12-8-17-15(18-12)9-16-7-11-10-19-14-6-4-3-5-13(11)14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyKXJNWMYKBFMYTG-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.74
Rot. Bonds5

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

1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275174) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275174
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCc2csc3ccccc23)o1
InChIInChI=1S/C15H16N2OS/c1-2-12-8-17-15(18-12)9-16-7-11-10-19-14-6-4-3-5-13(11)14/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyKXJNWMYKBFMYTG-UHFFFAOYSA-N
XLogP3.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275174) is 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCc2csc3ccccc23)o1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is KXJNWMYKBFMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-12-8-17-15(18-12)9-16-7-11-10-19-14-6-4-3-5-13(11)14/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).