4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide

C20H28N4O2 — CID 119390880

IUPAC4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCCCN1CCNCC1
InChIInChI=1S/C20H28N4O2/c25-19(22-10-5-13-24-14-11-21-12-15-24)8-4-9-20-23-16-18(26-20)17-6-2-1-3-7-17/h1-3,6-7,16,21H,4-5,8-15H2,(H,22,25)
InChIKeyUPJWNYOYNKXFGD-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.08
Rot. Bonds9

About 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide

4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide (PubChem CID 119390880) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
PubChem CID119390880
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCCCN1CCNCC1
InChIInChI=1S/C20H28N4O2/c25-19(22-10-5-13-24-14-11-21-12-15-24)8-4-9-20-23-16-18(26-20)17-6-2-1-3-7-17/h1-3,6-7,16,21H,4-5,8-15H2,(H,22,25)
InChIKeyUPJWNYOYNKXFGD-UHFFFAOYSA-N
XLogP2.08
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
N-(3-methoxypropyl)-2-[4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55685915
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418539
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
The IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide (CID 119390880) is 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)NCCCN1CCNCC1.
What is the InChIKey of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
The InChIKey is UPJWNYOYNKXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(22-10-5-13-24-14-11-21-12-15-24)8-4-9-20-23-16-18(26-20)17-6-2-1-3-7-17/h1-3,6-7,16,21H,4-5,8-15H2,(H,22,25).
What are the key properties of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide?
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide has a molecular weight of 356.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide is sourced from PubChem (CID 119390880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).