N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide

C18H24N4O3 — CID 1480152

IUPACN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CN3CCN(C)CC3)on2)cc1
InChIInChI=1S/C18H24N4O3/c1-21-7-9-22(10-8-21)13-18(23)19-12-16-11-17(20-25-16)14-3-5-15(24-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23)
InChIKeyFOCJZAHWPIIASZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.21
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 1480152) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID1480152
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)CN3CCN(C)CC3)on2)cc1
InChIInChI=1S/C18H24N4O3/c1-21-7-9-22(10-8-21)13-18(23)19-12-16-11-17(20-25-16)14-3-5-15(24-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23)
InChIKeyFOCJZAHWPIIASZ-UHFFFAOYSA-N
XLogP1.21
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 1480152) is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide is COc1ccc(-c2cc(CNC(=O)CN3CCN(C)CC3)on2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is FOCJZAHWPIIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-7-9-22(10-8-21)13-18(23)19-12-16-11-17(20-25-16)14-3-5-15(24-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,19,23).
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1480152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).