3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole

C10H14N2O — CID 10797417

IUPAC3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole
SMILESCc1cc(/C=C2\CCCNC2)on1
InChIInChI=1S/C10H14N2O/c1-8-5-10(13-12-8)6-9-3-2-4-11-7-9/h5-6,11H,2-4,7H2,1H3/b9-6+
InChIKeyKKVQAQZURYILKT-RMKNXTFCSA-N
MW178.23 g/mol
LogP1.75
Rot. Bonds1

About 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole

3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole (PubChem CID 10797417) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole
PubChem CID10797417
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole
SMILESCc1cc(/C=C2\CCCNC2)on1
InChIInChI=1S/C10H14N2O/c1-8-5-10(13-12-8)6-9-3-2-4-11-7-9/h5-6,11H,2-4,7H2,1H3/b9-6+
InChIKeyKKVQAQZURYILKT-RMKNXTFCSA-N
XLogP1.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole (CID 10797417) is 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole is Cc1cc(/C=C2\CCCNC2)on1.
What is the InChIKey of 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole?
The InChIKey is KKVQAQZURYILKT-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-5-10(13-12-8)6-9-3-2-4-11-7-9/h5-6,11H,2-4,7H2,1H3/b9-6+.
What are the key properties of 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole?
3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole has a molecular weight of 178.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(E)-piperidin-3-ylidenemethyl]-1,2-oxazole is sourced from PubChem (CID 10797417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).