N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide

C22H22ClFN4O2 — CID 170274581

IUPACN-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C22H22ClFN4O2/c23-17-10-18(24)12-19(11-17)25-21(29)13-27-6-8-28(9-7-27)14-22-26-20(15-30-22)16-4-2-1-3-5-16/h1-5,10-12,15H,6-9,13-14H2,(H,25,29)
InChIKeyRENFQYZBMKGKMU-UHFFFAOYSA-N
MW428.90 g/mol
LogP3.89
Rot. Bonds6

About N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide

N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 170274581) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID170274581
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C22H22ClFN4O2/c23-17-10-18(24)12-19(11-17)25-21(29)13-27-6-8-28(9-7-27)14-22-26-20(15-30-22)16-4-2-1-3-5-16/h1-5,10-12,15H,6-9,13-14H2,(H,25,29)
InChIKeyRENFQYZBMKGKMU-UHFFFAOYSA-N
XLogP3.89
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 142710122
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide
CID 169215280
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706
2-[6-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 169215260
N-(3-chloro-5-fluorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107365899
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide
CID 126768826
N-(4-fluorophenyl)-2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 45281436
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 9434359

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 170274581) is N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RENFQYZBMKGKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O2/c23-17-10-18(24)12-19(11-17)25-21(29)13-27-6-8-28(9-7-27)14-22-26-20(15-30-22)16-4-2-1-3-5-16/h1-5,10-12,15H,6-9,13-14H2,(H,25,29).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide?
N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 428.90 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 170274581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).