1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine

C12H21N3O — CID 63255733

IUPAC1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1cc(CN2CCCCC2C(C)N)on1
InChIInChI=1S/C12H21N3O/c1-9-7-11(16-14-9)8-15-6-4-3-5-12(15)10(2)13/h7,10,12H,3-6,8,13H2,1-2H3
InChIKeyHIDNGQHODSZVAS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds3

About 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63255733) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63255733
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1cc(CN2CCCCC2C(C)N)on1
InChIInChI=1S/C12H21N3O/c1-9-7-11(16-14-9)8-15-6-4-3-5-12(15)10(2)13/h7,10,12H,3-6,8,13H2,1-2H3
InChIKeyHIDNGQHODSZVAS-UHFFFAOYSA-N
XLogP1.68
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]ethanamine
CID 66191145
1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
CID 80664621
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63254745
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130673415
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine (CID 63255733) is 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine is Cc1cc(CN2CCCCC2C(C)N)on1.
What is the InChIKey of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is HIDNGQHODSZVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-7-11(16-14-9)8-15-6-4-3-5-12(15)10(2)13/h7,10,12H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).