2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C23H32N4O3 — CID 24572905

IUPAC2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)no1
InChIInChI=1S/C23H32N4O3/c1-17-15-20(25-30-17)24-21(28)16-26-11-13-27(14-12-26)22(29)10-7-18-5-8-19(9-6-18)23(2,3)4/h5-6,8-9,15H,7,10-14,16H2,1-4H3,(H,24,25,28)
InChIKeyIFEOBABALKWOSK-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.00
Rot. Bonds6

About 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24572905) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24572905
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)no1
InChIInChI=1S/C23H32N4O3/c1-17-15-20(25-30-17)24-21(28)16-26-11-13-27(14-12-26)22(29)10-7-18-5-8-19(9-6-18)23(2,3)4/h5-6,8-9,15H,7,10-14,16H2,1-4H3,(H,24,25,28)
InChIKeyIFEOBABALKWOSK-UHFFFAOYSA-N
XLogP3.00
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37280410
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33267493
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-(2-acetamidopropanoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24645151
2-[4-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60575652
3-(4-tert-butylphenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395606
2-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572919

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24572905) is 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)no1.
What is the InChIKey of 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IFEOBABALKWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17-15-20(25-30-17)24-21(28)16-26-11-13-27(14-12-26)22(29)10-7-18-5-8-19(9-6-18)23(2,3)4/h5-6,8-9,15H,7,10-14,16H2,1-4H3,(H,24,25,28).
What are the key properties of 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24572905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).