N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

C24H24ClF3N4O2 — CID 66575751

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C24H24ClF3N4O2/c25-17-5-3-6-18(15-17)32-13-11-31(12-14-32)10-4-9-29-23(33)22-16-21(30-34-22)19-7-1-2-8-20(19)24(26,27)28/h1-3,5-8,15-16H,4,9-14H2,(H,29,33)
InChIKeyDOYOKUQMDBOYDS-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.96
Rot. Bonds7

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 66575751) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID66575751
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C24H24ClF3N4O2/c25-17-5-3-6-18(15-17)32-13-11-31(12-14-32)10-4-9-29-23(33)22-16-21(30-34-22)19-7-1-2-8-20(19)24(26,27)28/h1-3,5-8,15-16H,4,9-14H2,(H,29,33)
InChIKeyDOYOKUQMDBOYDS-UHFFFAOYSA-N
XLogP4.96
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718
N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 142679761
5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431923
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 17096093
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
CID 122176317
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
CID 20940525
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 47055405

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 66575751) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccccc2C(F)(F)F)no1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DOYOKUQMDBOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c25-17-5-3-6-18(15-17)32-13-11-31(12-14-32)10-4-9-29-23(33)22-16-21(30-34-22)19-7-1-2-8-20(19)24(26,27)28/h1-3,5-8,15-16H,4,9-14H2,(H,29,33).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 492.93 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66575751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).