5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine

C9H15N3O — CID 115094202

IUPAC5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
SMILESNc1cc(CC2CCCNC2)on1
InChIInChI=1S/C9H15N3O/c10-9-5-8(13-12-9)4-7-2-1-3-11-6-7/h5,7,11H,1-4,6H2,(H2,10,12)
InChIKeyLBJALKXIOHJGNN-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.80
Rot. Bonds2

About 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine

5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine (PubChem CID 115094202) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
PubChem CID115094202
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
SMILESNc1cc(CC2CCCNC2)on1
InChIInChI=1S/C9H15N3O/c10-9-5-8(13-12-9)4-7-2-1-3-11-6-7/h5,7,11H,1-4,6H2,(H2,10,12)
InChIKeyLBJALKXIOHJGNN-UHFFFAOYSA-N
XLogP0.80
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
CID 115094215
5-[(1,1-dioxothian-3-yl)methyl]-1,2-oxazol-3-amine
CID 115094200
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221782
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 83212217
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
5-(5-bromo-4-methylthiophen-2-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 79996322

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine (CID 115094202) is 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine is Nc1cc(CC2CCCNC2)on1.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine?
The InChIKey is LBJALKXIOHJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9-5-8(13-12-9)4-7-2-1-3-11-6-7/h5,7,11H,1-4,6H2,(H2,10,12).
What are the key properties of 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine?
5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115094202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).