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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Related Compounds

3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 112605740
3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179205
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
CID 115004084
2-(5-ethyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 66588553
2-(5-propyl-1,3-oxazol-2-yl)ethanamine
CID 65178585
2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethanamine
CID 65178751
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115084839
methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
CID 105441021
3-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178870
N-[2-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182549

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).