2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide

C20H26ClFN4O2 — CID 170274554

IUPAC2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide
SMILESCC(C)(C)c1coc(CN2CCN(CC(=O)Nc3cc(F)cc(Cl)c3)CC2)n1
InChIInChI=1S/C20H26ClFN4O2/c1-20(2,3)17-13-28-19(24-17)12-26-6-4-25(5-7-26)11-18(27)23-16-9-14(21)8-15(22)10-16/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,27)
InChIKeyDLOQMORGSPFLMJ-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide

2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide (PubChem CID 170274554) has the molecular formula C20H26ClFN4O2 and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide
PubChem CID170274554
Molecular FormulaC20H26ClFN4O2
Molecular Weight408.91 g/mol
Exact Mass408.17
IUPAC Name2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide
SMILESCC(C)(C)c1coc(CN2CCN(CC(=O)Nc3cc(F)cc(Cl)c3)CC2)n1
InChIInChI=1S/C20H26ClFN4O2/c1-20(2,3)17-13-28-19(24-17)12-26-6-4-25(5-7-26)11-18(27)23-16-9-14(21)8-15(22)10-16/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,27)
InChIKeyDLOQMORGSPFLMJ-UHFFFAOYSA-N
XLogP3.52
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide (CID 170274554) is 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide is CC(C)(C)c1coc(CN2CCN(CC(=O)Nc3cc(F)cc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
The InChIKey is DLOQMORGSPFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN4O2/c1-20(2,3)17-13-28-19(24-17)12-26-6-4-25(5-7-26)11-18(27)23-16-9-14(21)8-15(22)10-16/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide?
2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide has a molecular weight of 408.91 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-(3-chloro-5-fluorophenyl)acetamide is sourced from PubChem (CID 170274554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).