3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole

C18H21N5O — CID 137028995

IUPAC3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2C2CCN(Cc3ccccn3)CC2)on1
InChIInChI=1S/C18H21N5O/c1-13-10-17(24-22-13)16-11-20-21-18(16)14-5-8-23(9-6-14)12-15-4-2-3-7-19-15/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,20,21)
InChIKeyTXKUTKRMMQMLKU-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole

3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 137028995) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID137028995
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2C2CCN(Cc3ccccn3)CC2)on1
InChIInChI=1S/C18H21N5O/c1-13-10-17(24-22-13)16-11-20-21-18(16)14-5-8-23(9-6-14)12-15-4-2-3-7-19-15/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,20,21)
InChIKeyTXKUTKRMMQMLKU-UHFFFAOYSA-N
XLogP3.15
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 137028995) is 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole is Cc1cc(-c2cn[nH]c2C2CCN(Cc3ccccn3)CC2)on1.
What is the InChIKey of 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is TXKUTKRMMQMLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-10-17(24-22-13)16-11-20-21-18(16)14-5-8-23(9-6-14)12-15-4-2-3-7-19-15/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,20,21).
What are the key properties of 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 323.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 137028995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).