N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C23H27FN4O3 — CID 3237031

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN4O3/c24-18-6-8-19(9-7-18)27-16-14-26(15-17-27)12-3-11-25-22(29)10-13-28-20-4-1-2-5-21(20)31-23(28)30/h1-2,4-9H,3,10-17H2,(H,25,29)
InChIKeySHIJUGKALDPUSP-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.45
Rot. Bonds8

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3237031) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3237031
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN4O3/c24-18-6-8-19(9-7-18)27-16-14-26(15-17-27)12-3-11-25-22(29)10-13-28-20-4-1-2-5-21(20)31-23(28)30/h1-2,4-9H,3,10-17H2,(H,25,29)
InChIKeySHIJUGKALDPUSP-UHFFFAOYSA-N
XLogP2.45
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide 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 N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3237031) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is SHIJUGKALDPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-18-6-8-19(9-7-18)27-16-14-26(15-17-27)12-3-11-25-22(29)10-13-28-20-4-1-2-5-21(20)31-23(28)30/h1-2,4-9H,3,10-17H2,(H,25,29).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 426.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3237031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).