4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide

C21H28N4O5 — CID 86278510

IUPAC4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
SMILESCOc1ccccc1OCCN1CCN(C(=O)CCC(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C21H28N4O5/c1-16-15-19(23-30-16)22-20(26)7-8-21(27)25-11-9-24(10-12-25)13-14-29-18-6-4-3-5-17(18)28-2/h3-6,15H,7-14H2,1-2H3,(H,22,23,26)
InChIKeyPVVXBKANYQPHFX-UHFFFAOYSA-N
MW416.48 g/mol
LogP1.93
Rot. Bonds9

About 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide

4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide (PubChem CID 86278510) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
PubChem CID86278510
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Name4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
SMILESCOc1ccccc1OCCN1CCN(C(=O)CCC(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C21H28N4O5/c1-16-15-19(23-30-16)22-20(26)7-8-21(27)25-11-9-24(10-12-25)13-14-29-18-6-4-3-5-17(18)28-2/h3-6,15H,7-14H2,1-2H3,(H,22,23,26)
InChIKeyPVVXBKANYQPHFX-UHFFFAOYSA-N
XLogP1.93
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The IUPAC name of 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide (CID 86278510) is 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide is COc1ccccc1OCCN1CCN(C(=O)CCC(=O)Nc2cc(C)on2)CC1.
What is the InChIKey of 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The InChIKey is PVVXBKANYQPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-16-15-19(23-30-16)22-20(26)7-8-21(27)25-11-9-24(10-12-25)13-14-29-18-6-4-3-5-17(18)28-2/h3-6,15H,7-14H2,1-2H3,(H,22,23,26).
What are the key properties of 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide has a molecular weight of 416.48 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide is sourced from PubChem (CID 86278510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).