3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine

C11H20N2O2 — CID 112605694

IUPAC3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(C)(C)OCc1cnc(CCCN)o1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)14-8-9-7-13-10(15-9)5-4-6-12/h7H,4-6,8,12H2,1-3H3
InChIKeyHVANWQCJJIWZAJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds5

About 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine

3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 112605694) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
PubChem CID112605694
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
SMILESCC(C)(C)OCc1cnc(CCCN)o1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)14-8-9-7-13-10(15-9)5-4-6-12/h7H,4-6,8,12H2,1-3H3
InChIKeyHVANWQCJJIWZAJ-UHFFFAOYSA-N
XLogP1.88
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine (CID 112605694) is 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine is CC(C)(C)OCc1cnc(CCCN)o1.
What is the InChIKey of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is HVANWQCJJIWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)14-8-9-7-13-10(15-9)5-4-6-12/h7H,4-6,8,12H2,1-3H3.
What are the key properties of 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine?
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 212.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 112605694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).