[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine

C10H17N3O — CID 115083426

IUPAC[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(CC2CCCNC2)n1
InChIInChI=1S/C10H17N3O/c11-5-9-7-14-10(13-9)4-8-2-1-3-12-6-8/h7-8,12H,1-6,11H2
InChIKeyHGPXAHJDFSIXJV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.68
Rot. Bonds3

About [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine

[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 115083426) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID115083426
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(CC2CCCNC2)n1
InChIInChI=1S/C10H17N3O/c11-5-9-7-14-10(13-9)4-8-2-1-3-12-6-8/h7-8,12H,1-6,11H2
InChIKeyHGPXAHJDFSIXJV-UHFFFAOYSA-N
XLogP0.68
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083440
4-(azepan-3-ylmethyl)-2-methyl-1,3-oxazole
CID 83484491
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
5-(piperidin-3-ylmethyl)-1,2-oxazol-3-amine
CID 115094202
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine (CID 115083426) is [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine is NCc1coc(CC2CCCNC2)n1.
What is the InChIKey of [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is HGPXAHJDFSIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-5-9-7-14-10(13-9)4-8-2-1-3-12-6-8/h7-8,12H,1-6,11H2.
What are the key properties of [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine?
[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115083426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).