3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide

C23H23ClN4O3 — CID 46480401

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C23H23ClN4O3/c24-18-5-3-17(4-6-18)20-14-27-23(31-20)10-9-21(29)26-13-16-1-7-19(8-2-16)28-12-11-25-22(30)15-28/h1-8,14H,9-13,15H2,(H,25,30)(H,26,29)
InChIKeyJUDMOPXMVSHSST-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.18
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide (PubChem CID 46480401) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
PubChem CID46480401
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C23H23ClN4O3/c24-18-5-3-17(4-6-18)20-14-27-23(31-20)10-9-21(29)26-13-16-1-7-19(8-2-16)28-12-11-25-22(30)15-28/h1-8,14H,9-13,15H2,(H,25,30)(H,26,29)
InChIKeyJUDMOPXMVSHSST-UHFFFAOYSA-N
XLogP3.18
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
CID 78866393
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55681416
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56517601
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 46443063
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55638461
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;dihydrochloride
CID 120945476
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030097

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide (CID 46480401) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(N2CCNC(=O)C2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide?
The InChIKey is JUDMOPXMVSHSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-18-5-3-17(4-6-18)20-14-27-23(31-20)10-9-21(29)26-13-16-1-7-19(8-2-16)28-12-11-25-22(30)15-28/h1-8,14H,9-13,15H2,(H,25,30)(H,26,29).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide has a molecular weight of 438.92 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 46480401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).