N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine

C13H18N2O2 — CID 65181435

IUPACN-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNC(C)c1ncc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C13H18N2O2/c1-7-9(3)16-10(4)12(7)11-6-15-13(17-11)8(2)14-5/h6,8,14H,1-5H3
InChIKeyHNQRTWIUOHVESU-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.14
Rot. Bonds3

About N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine

N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181435) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181435
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNC(C)c1ncc(-c2c(C)oc(C)c2C)o1
InChIInChI=1S/C13H18N2O2/c1-7-9(3)16-10(4)12(7)11-6-15-13(17-11)8(2)14-5/h6,8,14H,1-5H3
InChIKeyHNQRTWIUOHVESU-UHFFFAOYSA-N
XLogP3.14
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine (CID 65181435) is N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine is CNC(C)c1ncc(-c2c(C)oc(C)c2C)o1.
What is the InChIKey of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is HNQRTWIUOHVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7-9(3)16-10(4)12(7)11-6-15-13(17-11)8(2)14-5/h6,8,14H,1-5H3.
What are the key properties of N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine?
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).