N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H28N4O2 — CID 110624494

IUPACN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC(C)CN2CCN(Cc3ccccc3)CC2)no1
InChIInChI=1S/C20H28N4O2/c1-16(21-20(25)13-19-12-17(2)26-22-19)14-23-8-10-24(11-9-23)15-18-6-4-3-5-7-18/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,21,25)
InChIKeyDRSHKMIRRDGYCY-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.85
Rot. Bonds7

About N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110624494) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110624494
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC(C)CN2CCN(Cc3ccccc3)CC2)no1
InChIInChI=1S/C20H28N4O2/c1-16(21-20(25)13-19-12-17(2)26-22-19)14-23-8-10-24(11-9-23)15-18-6-4-3-5-7-18/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,21,25)
InChIKeyDRSHKMIRRDGYCY-UHFFFAOYSA-N
XLogP1.85
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
CID 110624490
1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109002094
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
CID 110284554
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504200
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624489
(2S)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 94767954
methyl 2-(2-chlorophenyl)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]acetate
CID 75375148
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 87006494
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110624494) is N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NC(C)CN2CCN(Cc3ccccc3)CC2)no1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DRSHKMIRRDGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16(21-20(25)13-19-12-17(2)26-22-19)14-23-8-10-24(11-9-23)15-18-6-4-3-5-7-18/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110624494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).