2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C24H24ClFN4O3 — CID 16597273

IUPAC2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C24H24ClFN4O3/c25-20-7-2-1-6-19(20)21-15-27-23(33-21)8-9-24(32)30-12-10-29(11-13-30)16-22(31)28-18-5-3-4-17(26)14-18/h1-7,14-15H,8-13,16H2,(H,28,31)
InChIKeyNTANVKPVBQOSPD-UHFFFAOYSA-N
MW470.93 g/mol
LogP3.85
Rot. Bonds7

About 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 16597273) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID16597273
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C24H24ClFN4O3/c25-20-7-2-1-6-19(20)21-15-27-23(33-21)8-9-24(32)30-12-10-29(11-13-30)16-22(31)28-18-5-3-4-17(26)14-18/h1-7,14-15H,8-13,16H2,(H,28,31)
InChIKeyNTANVKPVBQOSPD-UHFFFAOYSA-N
XLogP3.85
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 16597273) is 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is NTANVKPVBQOSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c25-20-7-2-1-6-19(20)21-15-27-23(33-21)8-9-24(32)30-12-10-29(11-13-30)16-22(31)28-18-5-3-4-17(26)14-18/h1-7,14-15H,8-13,16H2,(H,28,31).
What are the key properties of 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 470.93 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 16597273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).