1,3-oxazol-2-yl(piperidin-4-yl)methanone

C9H12N2O2 — CID 59581364

IUPAC1,3-oxazol-2-yl(piperidin-4-yl)methanone
SMILESO=C(c1ncco1)C1CCNCC1
InChIInChI=1S/C9H12N2O2/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-7,10H,1-4H2
InChIKeyZPGPPKNEZAGQGO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.86
Rot. Bonds2

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

1,3-oxazol-2-yl(piperidin-4-yl)methanone (PubChem CID 59581364) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,3-oxazol-2-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Name1,3-oxazol-2-yl(piperidin-4-yl)methanone
PubChem CID59581364
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1,3-oxazol-2-yl(piperidin-4-yl)methanone
SMILESO=C(c1ncco1)C1CCNCC1
InChIInChI=1S/C9H12N2O2/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-7,10H,1-4H2
InChIKeyZPGPPKNEZAGQGO-UHFFFAOYSA-N
XLogP0.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl(piperidin-4-yl)methanone?
The IUPAC name of 1,3-oxazol-2-yl(piperidin-4-yl)methanone (CID 59581364) is 1,3-oxazol-2-yl(piperidin-4-yl)methanone.
What is the SMILES notation for 1,3-oxazol-2-yl(piperidin-4-yl)methanone?
The canonical SMILES for 1,3-oxazol-2-yl(piperidin-4-yl)methanone is O=C(c1ncco1)C1CCNCC1.
What is the InChIKey of 1,3-oxazol-2-yl(piperidin-4-yl)methanone?
The InChIKey is ZPGPPKNEZAGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-7,10H,1-4H2.
What are the key properties of 1,3-oxazol-2-yl(piperidin-4-yl)methanone?
1,3-oxazol-2-yl(piperidin-4-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 59581364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).