N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine

C14H20N2O2 — CID 79084139

IUPACN-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(-c2cnc(CNC(C)(C)C)o2)o1
InChIInChI=1S/C14H20N2O2/c1-5-10-6-7-11(17-10)12-8-15-13(18-12)9-16-14(2,3)4/h6-8,16H,5,9H2,1-4H3
InChIKeyBRCDFHBYKOJIBT-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.39
Rot. Bonds4

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

N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79084139) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID79084139
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(-c2cnc(CNC(C)(C)C)o2)o1
InChIInChI=1S/C14H20N2O2/c1-5-10-6-7-11(17-10)12-8-15-13(18-12)9-16-14(2,3)4/h6-8,16H,5,9H2,1-4H3
InChIKeyBRCDFHBYKOJIBT-UHFFFAOYSA-N
XLogP3.39
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 79084139) is N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CCc1ccc(-c2cnc(CNC(C)(C)C)o2)o1.
What is the InChIKey of N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BRCDFHBYKOJIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-10-6-7-11(17-10)12-8-15-13(18-12)9-16-14(2,3)4/h6-8,16H,5,9H2,1-4H3.
What are the key properties of N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79084139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).