2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine

C14H25N3O — CID 115086180

IUPAC2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESCCN1CCCCC1Cc1ncc(C(C)CN)o1
InChIInChI=1S/C14H25N3O/c1-3-17-7-5-4-6-12(17)8-14-16-10-13(18-14)11(2)9-15/h10-12H,3-9,15H2,1-2H3
InChIKeyHRCQHXMKDSTSTC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115086180) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115086180
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
SMILESCCN1CCCCC1Cc1ncc(C(C)CN)o1
InChIInChI=1S/C14H25N3O/c1-3-17-7-5-4-6-12(17)8-14-16-10-13(18-14)11(2)9-15/h10-12H,3-9,15H2,1-2H3
InChIKeyHRCQHXMKDSTSTC-UHFFFAOYSA-N
XLogP2.15
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086140
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088807
1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086123
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025
2-(2-cyclohexyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087448
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536699
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine (CID 115086180) is 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine is CCN1CCCCC1Cc1ncc(C(C)CN)o1.
What is the InChIKey of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is HRCQHXMKDSTSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17-7-5-4-6-12(17)8-14-16-10-13(18-14)11(2)9-15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine?
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115086180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).