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

C12H21N3O — CID 25248465

IUPAC1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
SMILESCC(C)c1cc(CN2CCC(N)CC2)on1
InChIInChI=1S/C12H21N3O/c1-9(2)12-7-11(16-14-12)8-15-5-3-10(13)4-6-15/h7,9-10H,3-6,8,13H2,1-2H3
InChIKeyBUIJNFHRMIBSOI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds3

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

1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine (PubChem CID 25248465) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
PubChem CID25248465
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine
SMILESCC(C)c1cc(CN2CCC(N)CC2)on1
InChIInChI=1S/C12H21N3O/c1-9(2)12-7-11(16-14-12)8-15-5-3-10(13)4-6-15/h7,9-10H,3-6,8,13H2,1-2H3
InChIKeyBUIJNFHRMIBSOI-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine (CID 25248465) is 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine is CC(C)c1cc(CN2CCC(N)CC2)on1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is BUIJNFHRMIBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12-7-11(16-14-12)8-15-5-3-10(13)4-6-15/h7,9-10H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine?
1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 25248465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).