2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine

C11H18N2O2 — CID 115082182

IUPAC2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCC(CN)c1coc(C2CCOCC2)n1
InChIInChI=1S/C11H18N2O2/c1-8(6-12)10-7-15-11(13-10)9-2-4-14-5-3-9/h7-9H,2-6,12H2,1H3
InChIKeyQEBGICJHGTVFFX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.63
Rot. Bonds3

About 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine

2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115082182) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115082182
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCC(CN)c1coc(C2CCOCC2)n1
InChIInChI=1S/C11H18N2O2/c1-8(6-12)10-7-15-11(13-10)9-2-4-14-5-3-9/h7-9H,2-6,12H2,1H3
InChIKeyQEBGICJHGTVFFX-UHFFFAOYSA-N
XLogP1.63
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082192
2-[2-(oxolan-3-yl)-1,3-oxazol-4-yl]propan-1-ol
CID 115082044
2-(2-piperidin-3-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115082647
2-(2-cyclopentyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084623
2-(2-cyclohexyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084637
2-[2-(oxolan-3-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115084963
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082202
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanol
CID 115082141
2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027242
2-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-ol
CID 115082650
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
CID 65329558
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine (CID 115082182) is 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine is CC(CN)c1coc(C2CCOCC2)n1.
What is the InChIKey of 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is QEBGICJHGTVFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(6-12)10-7-15-11(13-10)9-2-4-14-5-3-9/h7-9H,2-6,12H2,1H3.
What are the key properties of 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115082182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).