5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine

C10H17N3O — CID 115093645

IUPAC5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine
SMILESCN1CCCC(Cc2oncc2N)C1
InChIInChI=1S/C10H17N3O/c1-13-4-2-3-8(7-13)5-10-9(11)6-12-14-10/h6,8H,2-5,7,11H2,1H3
InChIKeyHLQUQAKCUXELSD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.14
Rot. Bonds2

About 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine

5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine (PubChem CID 115093645) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine
PubChem CID115093645
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine
SMILESCN1CCCC(Cc2oncc2N)C1
InChIInChI=1S/C10H17N3O/c1-13-4-2-3-8(7-13)5-10-9(11)6-12-14-10/h6,8H,2-5,7,11H2,1H3
InChIKeyHLQUQAKCUXELSD-UHFFFAOYSA-N
XLogP1.14
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-ethylpyrrolidin-3-yl)methyl]-1,2-oxazol-4-amine
CID 115093385
5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-amine
CID 115093563
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091086
5-fluoro-2-[(1-methylpiperidin-3-yl)methyl]aniline
CID 105479559
4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 122540815
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
CID 129407000
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 55178218
3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
CID 167995771
2-[[(3R)-1-methylpiperidin-3-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrazine
CID 125010660
3-[(1-methylpiperidin-3-yl)methyl]pyridazine
CID 117106273
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine (CID 115093645) is 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine is CN1CCCC(Cc2oncc2N)C1.
What is the InChIKey of 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine?
The InChIKey is HLQUQAKCUXELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-4-2-3-8(7-13)5-10-9(11)6-12-14-10/h6,8H,2-5,7,11H2,1H3.
What are the key properties of 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine?
5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-3-yl)methyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 115093645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).