5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole

C18H20N4O — CID 44580285

IUPAC5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole
SMILESCc1c(-c2cc(-c3ccccc3)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H20N4O/c1-13-16(12-20-22(13)15-7-9-19-10-8-15)18-11-17(21-23-18)14-5-3-2-4-6-14/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyXOFIFFNLXAVCSI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds3

About 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole

5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole (PubChem CID 44580285) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole
PubChem CID44580285
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole
SMILESCc1c(-c2cc(-c3ccccc3)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H20N4O/c1-13-16(12-20-22(13)15-7-9-19-10-8-15)18-11-17(21-23-18)14-5-3-2-4-6-14/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyXOFIFFNLXAVCSI-UHFFFAOYSA-N
XLogP3.44
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole (CID 44580285) is 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole is Cc1c(-c2cc(-c3ccccc3)no2)cnn1C1CCNCC1.
What is the InChIKey of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
The InChIKey is XOFIFFNLXAVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-16(12-20-22(13)15-7-9-19-10-8-15)18-11-17(21-23-18)14-5-3-2-4-6-14/h2-6,11-12,15,19H,7-10H2,1H3.
What are the key properties of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole has a molecular weight of 308.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 44580285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).