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

C9H15N3O — CID 83846636

IUPAC3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
SMILESNc1cc(CC2CCCNC2)no1
InChIInChI=1S/C9H15N3O/c10-9-5-8(12-13-9)4-7-2-1-3-11-6-7/h5,7,11H,1-4,6,10H2
InChIKeyXPTQODUPJCXKRQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.80
Rot. Bonds2

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

3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine (PubChem CID 83846636) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
PubChem CID83846636
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
SMILESNc1cc(CC2CCCNC2)no1
InChIInChI=1S/C9H15N3O/c10-9-5-8(12-13-9)4-7-2-1-3-11-6-7/h5,7,11H,1-4,6,10H2
InChIKeyXPTQODUPJCXKRQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclobutylmethyl)-1,2-oxazol-5-amine
CID 103164216
5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
CID 115094202
3-(cyclopropylmethyl)-1,2-oxazol-5-amine
CID 54776320
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
5-(piperidin-3-ylmethyl)-1,2-oxazole-3-carbaldehyde
CID 115094215
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221782
[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083426
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine (CID 83846636) is 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine is Nc1cc(CC2CCCNC2)no1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine?
The InChIKey is XPTQODUPJCXKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9-5-8(12-13-9)4-7-2-1-3-11-6-7/h5,7,11H,1-4,6,10H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine?
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-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 3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 83846636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).