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

C12H21N3O — CID 115082709

IUPAC3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCN1CCCC(c2nc(CCCN)co2)C1
InChIInChI=1S/C12H21N3O/c1-15-7-3-4-10(8-15)12-14-11(9-16-12)5-2-6-13/h9-10H,2-8,13H2,1H3
InChIKeyJCOCTNMAIQRFQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.38
Rot. Bonds4

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

3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115082709) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115082709
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCN1CCCC(c2nc(CCCN)co2)C1
InChIInChI=1S/C12H21N3O/c1-15-7-3-4-10(8-15)12-14-11(9-16-12)5-2-6-13/h9-10H,2-8,13H2,1H3
InChIKeyJCOCTNMAIQRFQB-UHFFFAOYSA-N
XLogP1.38
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
CID 115082061
2-(2-cyclopentyl-1,3-oxazol-4-yl)ethanamine
CID 115015683
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
2-[3-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]ethanamine
CID 83884523
2-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-ol
CID 115082650
3-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115083165
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082404
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082861

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine (CID 115082709) is 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine is CN1CCCC(c2nc(CCCN)co2)C1.
What is the InChIKey of 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is JCOCTNMAIQRFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-3-4-10(8-15)12-14-11(9-16-12)5-2-6-13/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115082709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).