(4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone

C10H12N2O2 — CID 58902797

IUPAC(4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone
SMILESC=C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C10H12N2O2/c1-8-3-6-12(7-4-8)10(13)9-2-5-11-14-9/h2,5H,1,3-4,6-7H2
InChIKeyXPPRMVFXGKRQIA-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.47
Rot. Bonds1

About (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone

(4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone (PubChem CID 58902797) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone
PubChem CID58902797
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone
SMILESC=C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C10H12N2O2/c1-8-3-6-12(7-4-8)10(13)9-2-5-11-14-9/h2,5H,1,3-4,6-7H2
InChIKeyXPPRMVFXGKRQIA-UHFFFAOYSA-N
XLogP1.47
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-5-yl)methanone
CID 24945458
Tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 2738834
4,4-Dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23736486
N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide
CID 46942971
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
2-Methyl-1-[9-(1,2-oxazole-5-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 118739167
N-(4-isothiocyanatobutyl)-1,2-oxazole-5-carboxamide
CID 155530152
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 2738872
N-(2-aminoethyl)-1,2-oxazole-5-carboxamide
CID 60966581
Methyl 4-((isoxazole-5-carboxamido)methyl)piperidine-1-carboxylate
CID 49754849
N-((1-(dimethylcarbamoyl)piperidin-4-yl)methyl)isoxazole-5-carboxamide
CID 121020450
N-((5-methylisoxazol-4-yl)methyl)isoxazole-5-carboxamide
CID 121172381

Frequently Asked Questions

What is the IUPAC name of (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone?
The IUPAC name of (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone (CID 58902797) is (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone is C=C1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone?
The InChIKey is XPPRMVFXGKRQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8-3-6-12(7-4-8)10(13)9-2-5-11-14-9/h2,5H,1,3-4,6-7H2.
What are the key properties of (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone?
(4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenepiperidin-1-yl)-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 58902797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).