5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide

C25H27FN4O4 — CID 53122998

IUPAC5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27FN4O4/c1-33-16-4-11-27-24(31)22-23(34-17-28-22)20-5-2-3-6-21(20)25(32)30-14-12-29(13-15-30)19-9-7-18(26)8-10-19/h2-3,5-10,17H,4,11-16H2,1H3,(H,27,31)
InChIKeyQZPBTUAFTJRHLI-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.21
Rot. Bonds8

About 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide

5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide (PubChem CID 53122998) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
PubChem CID53122998
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Name5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H27FN4O4/c1-33-16-4-11-27-24(31)22-23(34-17-28-22)20-5-2-3-6-21(20)25(32)30-14-12-29(13-15-30)19-9-7-18(26)8-10-19/h2-3,5-10,17H,4,11-16H2,1H3,(H,27,31)
InChIKeyQZPBTUAFTJRHLI-UHFFFAOYSA-N
XLogP3.21
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide (CID 53122998) is 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide is COCCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QZPBTUAFTJRHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-33-16-4-11-27-24(31)22-23(34-17-28-22)20-5-2-3-6-21(20)25(32)30-14-12-29(13-15-30)19-9-7-18(26)8-10-19/h2-3,5-10,17H,4,11-16H2,1H3,(H,27,31).
What are the key properties of 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide?
5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).