[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H24N4O3 — CID 9109006

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-20(17(2)29-24-16)15-28-19-8-6-18(7-9-19)22(27)26-13-11-25(12-14-26)21-5-3-4-10-23-21/h3-10H,11-15H2,1-2H3
InChIKeyNXEAFWNRJQHNAG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds5

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 9109006) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID9109006
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-20(17(2)29-24-16)15-28-19-8-6-18(7-9-19)22(27)26-13-11-25(12-14-26)21-5-3-4-10-23-21/h3-10H,11-15H2,1-2H3
InChIKeyNXEAFWNRJQHNAG-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 [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 9109006) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1noc(C)c1COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NXEAFWNRJQHNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-20(17(2)29-24-16)15-28-19-8-6-18(7-9-19)22(27)26-13-11-25(12-14-26)21-5-3-4-10-23-21/h3-10H,11-15H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(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 [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9109006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).