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

C14H25N3O — CID 115085113

IUPAC2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCN(C(C)C)CC2)o1
InChIInChI=1S/C14H25N3O/c1-10(2)17-6-4-12(5-7-17)14-16-9-13(18-14)11(3)8-15/h9-12H,4-8,15H2,1-3H3
InChIKeyVVFYFOSEVDPWFO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.32
Rot. Bonds4

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

2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine (PubChem CID 115085113) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
PubChem CID115085113
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
SMILESCC(CN)c1cnc(C2CCN(C(C)C)CC2)o1
InChIInChI=1S/C14H25N3O/c1-10(2)17-6-4-12(5-7-17)14-16-9-13(18-14)11(3)8-15/h9-12H,4-8,15H2,1-3H3
InChIKeyVVFYFOSEVDPWFO-UHFFFAOYSA-N
XLogP2.32
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclohexyl-1,3-oxazol-5-yl)propan-1-amine
CID 115087448
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115084985
5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117258855
2-[2-(oxolan-3-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115084963
2-(2-cyclobutyl-1,3-oxazol-5-yl)propan-1-ol
CID 115087422
2-(2-cyclopentyl-1,3-oxazol-5-yl)propan-1-ol
CID 115087436
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117259550
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087714
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine (CID 115085113) is 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine is CC(CN)c1cnc(C2CCN(C(C)C)CC2)o1.
What is the InChIKey of 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
The InChIKey is VVFYFOSEVDPWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)17-6-4-12(5-7-17)14-16-9-13(18-14)11(3)8-15/h9-12H,4-8,15H2,1-3H3.
What are the key properties of 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine?
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 115085113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).