2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide

C28H27FN4O2 — CID 46055785

IUPAC2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C28H27FN4O2/c29-23-11-13-24(14-12-23)30-28(34)25-20-35-26(31-25)19-32-15-17-33(18-16-32)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,20,27H,15-19H2,(H,30,34)
InChIKeyHBBOQSXPYWMOMZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.97
Rot. Bonds7

About 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide

2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 46055785) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID46055785
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C28H27FN4O2/c29-23-11-13-24(14-12-23)30-28(34)25-20-35-26(31-25)19-32-15-17-33(18-16-32)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,20,27H,15-19H2,(H,30,34)
InChIKeyHBBOQSXPYWMOMZ-UHFFFAOYSA-N
XLogP4.97
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-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

Related Compounds

N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42850775
2-[[4-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42855795
[2-[(4-benzhydrylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-(4-benzylpiperazin-1-yl)methanone
CID 46055800
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46051611
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
N-(3-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986194
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986478
N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986347
N-(4-chlorophenyl)-2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986509
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986474
2-[[4-[3-(diethylamino)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46051210
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 46055785) is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HBBOQSXPYWMOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c29-23-11-13-24(14-12-23)30-28(34)25-20-35-26(31-25)19-32-15-17-33(18-16-32)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,20,27H,15-19H2,(H,30,34).
What are the key properties of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46055785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).