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

C22H32N4O2 — CID 8994370

IUPAC2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)no1
InChIInChI=1S/C22H32N4O2/c1-17(2)20-6-4-19(5-7-20)8-9-23-22(27)16-26-12-10-25(11-13-26)15-21-14-18(3)28-24-21/h4-7,14,17H,8-13,15-16H2,1-3H3,(H,23,27)
InChIKeyCKUADVQYKITKMG-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.58
Rot. Bonds8

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

2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 8994370) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID8994370
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)no1
InChIInChI=1S/C22H32N4O2/c1-17(2)20-6-4-19(5-7-20)8-9-23-22(27)16-26-12-10-25(11-13-26)15-21-14-18(3)28-24-21/h4-7,14,17H,8-13,15-16H2,1-3H3,(H,23,27)
InChIKeyCKUADVQYKITKMG-UHFFFAOYSA-N
XLogP2.58
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993890
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 9131399
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313
N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
CID 42542896
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8621771
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504018
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993855
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504200
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36856314
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 8994370) is 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is Cc1cc(CN2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)no1.
What is the InChIKey of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is CKUADVQYKITKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17(2)20-6-4-19(5-7-20)8-9-23-22(27)16-26-12-10-25(11-13-26)15-21-14-18(3)28-24-21/h4-7,14,17H,8-13,15-16H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 8994370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).