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

C12H16N2O2 — CID 78925092

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)13-8-9-7-11(16-14-9)10-5-4-6-15-10/h4-7,13H,8H2,1-3H3
InChIKeyZVVOUCWPAWDDCM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.82
Rot. Bonds3

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

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 78925092) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID78925092
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(-c2ccco2)on1
InChIInChI=1S/C12H16N2O2/c1-12(2,3)13-8-9-7-11(16-14-9)10-5-4-6-15-10/h4-7,13H,8H2,1-3H3
InChIKeyZVVOUCWPAWDDCM-UHFFFAOYSA-N
XLogP2.82
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine (CID 78925092) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(-c2ccco2)on1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZVVOUCWPAWDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)13-8-9-7-11(16-14-9)10-5-4-6-15-10/h4-7,13H,8H2,1-3H3.
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 220.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 78925092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).