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

C9H16N2O2 — CID 62457747

IUPAC[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCC(C)(C)OCc1cc(CN)no1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)12-6-8-4-7(5-10)11-13-8/h4H,5-6,10H2,1-3H3
InChIKeySWXTYDZWGDJROQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.45
Rot. Bonds3

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

[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62457747) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62457747
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCC(C)(C)OCc1cc(CN)no1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)12-6-8-4-7(5-10)11-13-8/h4H,5-6,10H2,1-3H3
InChIKeySWXTYDZWGDJROQ-UHFFFAOYSA-N
XLogP1.45
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine (CID 62457747) is [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine is CC(C)(C)OCc1cc(CN)no1.
What is the InChIKey of [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is SWXTYDZWGDJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)12-6-8-4-7(5-10)11-13-8/h4H,5-6,10H2,1-3H3.
What are the key properties of [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 184.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62457747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).