N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine

C15H16N2O2S — CID 114911181

IUPACN-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnoc1-c1cc2ccccc2s1
InChIInChI=1S/C15H16N2O2S/c1-18-7-6-16-9-12-10-17-19-15(12)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyMTBPACLWGQWSCR-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 114911181) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID114911181
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnoc1-c1cc2ccccc2s1
InChIInChI=1S/C15H16N2O2S/c1-18-7-6-16-9-12-10-17-19-15(12)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyMTBPACLWGQWSCR-UHFFFAOYSA-N
XLogP3.29
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 65237710
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65237332
N-[[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65237377
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 65239480
N-[(5-cyclopentyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 65237809
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
N-[[5-(4-bromothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 107355468
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
2-methoxy-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79271660
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
N-[(5-indazol-1-yl-1,3,4-thiadiazol-2-yl)methyl]-2-methoxyethanamine
CID 80624438

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 114911181) is N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnoc1-c1cc2ccccc2s1.
What is the InChIKey of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is MTBPACLWGQWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-18-7-6-16-9-12-10-17-19-15(12)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,10,16H,6-7,9H2,1H3.
What are the key properties of N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).