[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine

C12H21N3O — CID 115094077

IUPAC[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
SMILESCC(C)N1CCCCC1c1cc(CN)no1
InChIInChI=1S/C12H21N3O/c1-9(2)15-6-4-3-5-11(15)12-7-10(8-13)14-16-12/h7,9,11H,3-6,8,13H2,1-2H3
InChIKeyZXPBIVOGLYFXSL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds3

About [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine

[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine (PubChem CID 115094077) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
PubChem CID115094077
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine
SMILESCC(C)N1CCCCC1c1cc(CN)no1
InChIInChI=1S/C12H21N3O/c1-9(2)15-6-4-3-5-11(15)12-7-10(8-13)14-16-12/h7,9,11H,3-6,8,13H2,1-2H3
InChIKeyZXPBIVOGLYFXSL-UHFFFAOYSA-N
XLogP2.07
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081403
(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
CID 124500854
[2-(1-propan-2-ylpiperidin-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129618
3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
CID 67986572
2-(5-methylfuran-2-yl)-1-propan-2-ylpyrrolidine
CID 157179926
2-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanamine
CID 51619083
[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]methanol
CID 115082738
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
2-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078001
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2-oxazol-4-yl]methanol
CID 115093485
2-chloro-3-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542433

Frequently Asked Questions

What is the IUPAC name of [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine (CID 115094077) is [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine is CC(C)N1CCCCC1c1cc(CN)no1.
What is the InChIKey of [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is ZXPBIVOGLYFXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-6-4-3-5-11(15)12-7-10(8-13)14-16-12/h7,9,11H,3-6,8,13H2,1-2H3.
What are the key properties of [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine?
[5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-propan-2-ylpiperidin-2-yl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 115094077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).