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

C12H21N3O — CID 115085155

IUPAC1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CCN(C)CC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13)7-11-8-14-12(16-11)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyGIRAVAHYEKHSEM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.37
Rot. Bonds3

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

1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine (PubChem CID 115085155) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
PubChem CID115085155
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2CCN(C)CC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13)7-11-8-14-12(16-11)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3
InChIKeyGIRAVAHYEKHSEM-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085018
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
1-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085767
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115085086
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115084985
2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085042
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082202
2-cyclopropyl-5-ethyl-1,3-oxazole
CID 146588546
1-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116964946
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085113
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877125

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine (CID 115085155) is 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine is CC(N)Cc1cnc(C2CCN(C)CC2)o1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine?
The InChIKey is GIRAVAHYEKHSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13)7-11-8-14-12(16-11)10-3-5-15(2)6-4-10/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine?
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine is sourced from PubChem (CID 115085155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).