3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole

C15H22N4O — CID 51104346

IUPAC3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(c2ccnn2C)CC1
InChIInChI=1S/C15H22N4O/c1-11-14(12(2)20-17-11)10-19-8-5-13(6-9-19)15-4-7-16-18(15)3/h4,7,13H,5-6,8-10H2,1-3H3
InChIKeyGLMTYVGSVYSPQX-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.40
Rot. Bonds3

About 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 51104346) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID51104346
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(c2ccnn2C)CC1
InChIInChI=1S/C15H22N4O/c1-11-14(12(2)20-17-11)10-19-8-5-13(6-9-19)15-4-7-16-18(15)3/h4,7,13H,5-6,8-10H2,1-3H3
InChIKeyGLMTYVGSVYSPQX-UHFFFAOYSA-N
XLogP2.40
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 51104346) is 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC(c2ccnn2C)CC1.
What is the InChIKey of 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is GLMTYVGSVYSPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-14(12(2)20-17-11)10-19-8-5-13(6-9-19)15-4-7-16-18(15)3/h4,7,13H,5-6,8-10H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 274.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 51104346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).