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

C21H20F2N4O2 — CID 42850775

IUPACN-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H20F2N4O2/c22-15-5-7-16(8-6-15)24-21(28)18-14-29-20(25-18)13-26-9-11-27(12-10-26)19-4-2-1-3-17(19)23/h1-8,14H,9-13H2,(H,24,28)
InChIKeySLOWSNJVNXCVTO-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.53
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42850775) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42850775
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H20F2N4O2/c22-15-5-7-16(8-6-15)24-21(28)18-14-29-20(25-18)13-26-9-11-27(12-10-26)19-4-2-1-3-17(19)23/h1-8,14H,9-13H2,(H,24,28)
InChIKeySLOWSNJVNXCVTO-UHFFFAOYSA-N
XLogP3.53
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46055785
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 25281930
2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46051611
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 25276442
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-methoxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 45248042
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 25289332
2-[[4-[3-[di(propan-2-yl)amino]-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 42855795
N-(4-chlorophenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856234
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42858835
N-(3-fluorophenyl)-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051636
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56719764
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 42196030

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 42850775) is N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1coc(CN2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SLOWSNJVNXCVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-15-5-7-16(8-6-15)24-21(28)18-14-29-20(25-18)13-26-9-11-27(12-10-26)19-4-2-1-3-17(19)23/h1-8,14H,9-13H2,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42850775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).