[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine

C12H21N3O — CID 115082508

IUPAC[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
SMILESCCN1CCC(Cc2nc(CN)co2)CC1
InChIInChI=1S/C12H21N3O/c1-2-15-5-3-10(4-6-15)7-12-14-11(8-13)9-16-12/h9-10H,2-8,13H2,1H3
InChIKeyPWPUVFBGEPHZCN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds4

About [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine

[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine (PubChem CID 115082508) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
PubChem CID115082508
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
SMILESCCN1CCC(Cc2nc(CN)co2)CC1
InChIInChI=1S/C12H21N3O/c1-2-15-5-3-10(4-6-15)7-12-14-11(8-13)9-16-12/h9-10H,2-8,13H2,1H3
InChIKeyPWPUVFBGEPHZCN-UHFFFAOYSA-N
XLogP1.41
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082404
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082349
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082322
4-[(4-methyl-1,3-oxazol-2-yl)methyl]piperidin-1-amine
CID 123456570
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
[2-(piperidin-3-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083426
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115082481
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
6-[(1-ethylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105485
2-[(1-ethylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
CID 117156558
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
CID 115082061

Frequently Asked Questions

What is the IUPAC name of [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine (CID 115082508) is [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine is CCN1CCC(Cc2nc(CN)co2)CC1.
What is the InChIKey of [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is PWPUVFBGEPHZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-5-3-10(4-6-15)7-12-14-11(8-13)9-16-12/h9-10H,2-8,13H2,1H3.
What are the key properties of [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine?
[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115082508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).