1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one

C11H16N2O2 — CID 115082176

IUPAC1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
SMILESCC(=O)Cc1coc(C2CCNCC2)n1
InChIInChI=1S/C11H16N2O2/c1-8(14)6-10-7-15-11(13-10)9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3
InChIKeyJCLMZGNYDQKAJF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one

1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one (PubChem CID 115082176) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
PubChem CID115082176
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one
SMILESCC(=O)Cc1coc(C2CCNCC2)n1
InChIInChI=1S/C11H16N2O2/c1-8(14)6-10-7-15-11(13-10)9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3
InChIKeyJCLMZGNYDQKAJF-UHFFFAOYSA-N
XLogP1.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperidin-2-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082929
2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027242
4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 82507423
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
2-cyclopropyl-4-propyl-1,3-oxazole
CID 89181319
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785755

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one?
The IUPAC name of 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one (CID 115082176) is 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one?
The canonical SMILES for 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one is CC(=O)Cc1coc(C2CCNCC2)n1.
What is the InChIKey of 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one?
The InChIKey is JCLMZGNYDQKAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)6-10-7-15-11(13-10)9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one?
1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-yl-1,3-oxazol-4-yl)propan-2-one is sourced from PubChem (CID 115082176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).