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

C17H24N4O2 — CID 56779020

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCCN2C(=O)Cc2c(C)noc2C)c1
InChIInChI=1S/C17H24N4O2/c1-12-9-18-20(10-12)11-15-6-4-5-7-21(15)17(22)8-16-13(2)19-23-14(16)3/h9-10,15H,4-8,11H2,1-3H3
InChIKeyIMQBUFVIVFGYTD-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.42
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 56779020) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID56779020
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1cnn(CC2CCCCN2C(=O)Cc2c(C)noc2C)c1
InChIInChI=1S/C17H24N4O2/c1-12-9-18-20(10-12)11-15-6-4-5-7-21(15)17(22)8-16-13(2)19-23-14(16)3/h9-10,15H,4-8,11H2,1-3H3
InChIKeyIMQBUFVIVFGYTD-UHFFFAOYSA-N
XLogP2.42
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 56779020) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is Cc1cnn(CC2CCCCN2C(=O)Cc2c(C)noc2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is IMQBUFVIVFGYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-9-18-20(10-12)11-15-6-4-5-7-21(15)17(22)8-16-13(2)19-23-14(16)3/h9-10,15H,4-8,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 316.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56779020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).