[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H24N4O3 — CID 24792997

IUPAC[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C22H24N4O3/c1-16-6-5-7-17(2)21(16)28-15-18-14-19(24-29-18)22(27)26-12-10-25(11-13-26)20-8-3-4-9-23-20/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDMFDUZDFZOEYNM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds5

About [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 24792997) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID24792997
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C22H24N4O3/c1-16-6-5-7-17(2)21(16)28-15-18-14-19(24-29-18)22(27)26-12-10-25(11-13-26)20-8-3-4-9-23-20/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDMFDUZDFZOEYNM-UHFFFAOYSA-N
XLogP3.23
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 24792997) is [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccn3)CC2)no1.
What is the InChIKey of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DMFDUZDFZOEYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-6-5-7-17(2)21(16)28-15-18-14-19(24-29-18)22(27)26-12-10-25(11-13-26)20-8-3-4-9-23-20/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24792997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).