5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole

C18H25N3O3 — CID 659714

IUPAC5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole
SMILESCc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1
InChIInChI=1S/C18H25N3O3/c1-15-13-16(19-24-15)14-23-18-6-4-3-5-17(18)22-12-11-21-9-7-20(2)8-10-21/h3-6,13H,7-12,14H2,1-2H3
InChIKeyFWYIBXVVHORUGU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.19
Rot. Bonds7

About 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole

5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole (PubChem CID 659714) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole
PubChem CID659714
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole
SMILESCc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1
InChIInChI=1S/C18H25N3O3/c1-15-13-16(19-24-15)14-23-18-6-4-3-5-17(18)22-12-11-21-9-7-20(2)8-10-21/h3-6,13H,7-12,14H2,1-2H3
InChIKeyFWYIBXVVHORUGU-UHFFFAOYSA-N
XLogP2.19
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole (CID 659714) is 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole is Cc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1.
What is the InChIKey of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole?
The InChIKey is FWYIBXVVHORUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-15-13-16(19-24-15)14-23-18-6-4-3-5-17(18)22-12-11-21-9-7-20(2)8-10-21/h3-6,13H,7-12,14H2,1-2H3.
What are the key properties of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole?
5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole has a molecular weight of 331.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 659714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).