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

C18H23FN4O3 — CID 33070590

IUPAC2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1F
InChIInChI=1S/C18H23FN4O3/c1-13-9-17(21-26-13)20-18(24)12-23-7-5-22(6-8-23)11-14-3-4-16(25-2)15(19)10-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,24)
InChIKeyJUGWTSGBTYJUNM-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.89
Rot. Bonds6

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

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 33070590) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID33070590
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1F
InChIInChI=1S/C18H23FN4O3/c1-13-9-17(21-26-13)20-18(24)12-23-7-5-22(6-8-23)11-14-3-4-16(25-2)15(19)10-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,24)
InChIKeyJUGWTSGBTYJUNM-UHFFFAOYSA-N
XLogP1.89
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 33070590) is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1F.
What is the InChIKey of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JUGWTSGBTYJUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-13-9-17(21-26-13)20-18(24)12-23-7-5-22(6-8-23)11-14-3-4-16(25-2)15(19)10-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 33070590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).