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

C24H24ClFN4O3 — CID 16597244

IUPAC2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H24ClFN4O3/c25-20-4-2-1-3-19(20)21-15-27-23(33-21)9-10-24(32)30-13-11-29(12-14-30)16-22(31)28-18-7-5-17(26)6-8-18/h1-8,15H,9-14,16H2,(H,28,31)
InChIKeyQPGXPWOQXAXPCA-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-(4-fluorophenyl)acetamide

2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 16597244) 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-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID16597244
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-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C24H24ClFN4O3/c25-20-4-2-1-3-19(20)21-15-27-23(33-21)9-10-24(32)30-13-11-29(12-14-30)16-22(31)28-18-7-5-17(26)6-8-18/h1-8,15H,9-14,16H2,(H,28,31)
InChIKeyQPGXPWOQXAXPCA-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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Related Compounds

7-(2-Chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737009
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
2-chloro-N-(4-(5-phenyloxazol-2-yl)phenyl)benzamide
CID 44549004
4-[(4-chlorobenzoyl)amino]-N-[2-[4-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]ethyl]benzamide
CID 44532537
N-(2-aminophenyl)-6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]hexanamide
CID 60207641
N-{2-[4-(benzyloxy)piperidin-1-yl]-2-(1,3-oxazol-5-yl)ethyl}-2-chloro-6-fluorobenzamide
CID 118289533
US10167280, Example 52
CID 121245926
US10421742, Example 11
CID 135205451
2-Oxazolemethanamine, 5-(2-chlorophenyl)-N-ethyl-
CID 3049280
3-chloro-N-(3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 118862316
(5S)-5-{[{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(2-pyridinylmethyl)amino]methyl}-2-pyrrolidinone
CID 16191697
N-[2-(2-chlorophenyl)ethyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 155530539

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-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 16597244) is 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is QPGXPWOQXAXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c25-20-4-2-1-3-19(20)21-15-27-23(33-21)9-10-24(32)30-13-11-29(12-14-30)16-22(31)28-18-7-5-17(26)6-8-18/h1-8,15H,9-14,16H2,(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-(4-fluorophenyl)acetamide?
2-[4-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-(4-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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16597244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).