3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

C12H16N2O2S — CID 81129006

IUPAC3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2cc(OC)cs2)o1
InChIInChI=1S/C12H16N2O2S/c1-13-5-3-4-12-14-7-10(16-12)11-6-9(15-2)8-17-11/h6-8,13H,3-5H2,1-2H3
InChIKeyCXZIBFPMCQHWCQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.56
Rot. Bonds6

About 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 81129006) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID81129006
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2cc(OC)cs2)o1
InChIInChI=1S/C12H16N2O2S/c1-13-5-3-4-12-14-7-10(16-12)11-6-9(15-2)8-17-11/h6-8,13H,3-5H2,1-2H3
InChIKeyCXZIBFPMCQHWCQ-UHFFFAOYSA-N
XLogP2.56
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81128594
1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81129226
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187006
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187194
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
2-[5-(3-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81128097
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 102885582
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186809
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 81129006) is 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2cc(OC)cs2)o1.
What is the InChIKey of 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is CXZIBFPMCQHWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-13-5-3-4-12-14-7-10(16-12)11-6-9(15-2)8-17-11/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 252.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 81129006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).