N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide

C27H33N5O3 — CID 56775812

IUPACN-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)cc1
InChIInChI=1S/C27H33N5O3/c1-21(33)29-23-9-7-22(8-10-23)17-28-27(19-34-20-27)16-24-15-26(35-30-24)18-31-11-13-32(14-12-31)25-5-3-2-4-6-25/h2-10,15,28H,11-14,16-20H2,1H3,(H,29,33)
InChIKeyUKWZFPHKNPUPQQ-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.06
Rot. Bonds9

About N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide

N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 56775812) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
PubChem CID56775812
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)cc1
InChIInChI=1S/C27H33N5O3/c1-21(33)29-23-9-7-22(8-10-23)17-28-27(19-34-20-27)16-24-15-26(35-30-24)18-31-11-13-32(14-12-31)25-5-3-2-4-6-25/h2-10,15,28H,11-14,16-20H2,1H3,(H,29,33)
InChIKeyUKWZFPHKNPUPQQ-UHFFFAOYSA-N
XLogP3.06
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775786
N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62424365
N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775781
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775664
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
CID 56775535
N-[2-nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetamide
CID 11002720
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
N-[(1S,3S)-2,2-dimethyl-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclobutyl]-4-methoxybenzamide
CID 56774381
1-(4-acetylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 162874779
5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 60567676

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide (CID 56775812) is N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)cc1.
What is the InChIKey of N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is UKWZFPHKNPUPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-21(33)29-23-9-7-22(8-10-23)17-28-27(19-34-20-27)16-24-15-26(35-30-24)18-31-11-13-32(14-12-31)25-5-3-2-4-6-25/h2-10,15,28H,11-14,16-20H2,1H3,(H,29,33).
What are the key properties of N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 475.59 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 56775812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).