3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole

C10H16N2O — CID 83846520

IUPAC3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
SMILESCc1cc(CC2CCCCN2)on1
InChIInChI=1S/C10H16N2O/c1-8-6-10(13-12-8)7-9-4-2-3-5-11-9/h6,9,11H,2-5,7H2,1H3
InChIKeyWTXGWJKGSJULMH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds2

About 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole

3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole (PubChem CID 83846520) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
PubChem CID83846520
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
SMILESCc1cc(CC2CCCCN2)on1
InChIInChI=1S/C10H16N2O/c1-8-6-10(13-12-8)7-9-4-2-3-5-11-9/h6,9,11H,2-5,7H2,1H3
InChIKeyWTXGWJKGSJULMH-UHFFFAOYSA-N
XLogP1.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(piperidin-2-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115094175
5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole
CID 83850637
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545774
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549657

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole (CID 83846520) is 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole is Cc1cc(CC2CCCCN2)on1.
What is the InChIKey of 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is WTXGWJKGSJULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-6-10(13-12-8)7-9-4-2-3-5-11-9/h6,9,11H,2-5,7H2,1H3.
What are the key properties of 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole?
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 180.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 83846520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).