N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C11H14N2O2 — CID 115876673

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1cc(CNCc2ccon2)c(C)o1
InChIInChI=1S/C11H14N2O2/c1-8-5-10(9(2)15-8)6-12-7-11-3-4-14-13-11/h3-5,12H,6-7H2,1-2H3
InChIKeyWBPPSQXRWSCVLY-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.17
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 115876673) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID115876673
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1cc(CNCc2ccon2)c(C)o1
InChIInChI=1S/C11H14N2O2/c1-8-5-10(9(2)15-8)6-12-7-11-3-4-14-13-11/h3-5,12H,6-7H2,1-2H3
InChIKeyWBPPSQXRWSCVLY-UHFFFAOYSA-N
XLogP2.17
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 115876673) is N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is Cc1cc(CNCc2ccon2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is WBPPSQXRWSCVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-5-10(9(2)15-8)6-12-7-11-3-4-14-13-11/h3-5,12H,6-7H2,1-2H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 115876673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).