1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine

C15H16N2O2S — CID 86789550

IUPAC1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncc(-c3cccs3)o2)o1
InChIInChI=1S/C15H16N2O2S/c1-10-5-6-12(18-10)11(2)16-9-15-17-8-13(19-15)14-4-3-7-20-14/h3-8,11,16H,9H2,1-2H3
InChIKeyRORQFOQCFJYDHM-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.16
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 86789550) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID86789550
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncc(-c3cccs3)o2)o1
InChIInChI=1S/C15H16N2O2S/c1-10-5-6-12(18-10)11(2)16-9-15-17-8-13(19-15)14-4-3-7-20-14/h3-8,11,16H,9H2,1-2H3
InChIKeyRORQFOQCFJYDHM-UHFFFAOYSA-N
XLogP4.16
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115897285
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183857
2-[[(S)-(3,4-dimethylphenyl)sulfinyl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97031157
1-(5-methylfuran-2-yl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43206012
1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 86789525
3-(5-methyltetrazol-1-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 71985226
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 114031453

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine (CID 86789550) is 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2ncc(-c3cccs3)o2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is RORQFOQCFJYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-5-6-12(18-10)11(2)16-9-15-17-8-13(19-15)14-4-3-7-20-14/h3-8,11,16H,9H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 86789550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).