N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide

C20H28N4O2 — CID 162643286

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C20H28N4O2/c1-20(2,3)17-15-18(22-26-17)21-19(25)9-10-23-11-13-24(14-12-23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,21,22,25)
InChIKeyGYOQTAALDYZTEA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.12
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 162643286) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID162643286
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C20H28N4O2/c1-20(2,3)17-15-18(22-26-17)21-19(25)9-10-23-11-13-24(14-12-23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,21,22,25)
InChIKeyGYOQTAALDYZTEA-UHFFFAOYSA-N
XLogP3.12
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 162660579
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71998190
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 109029785
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 162643286) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide is CC(C)(C)c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is GYOQTAALDYZTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)17-15-18(22-26-17)21-19(25)9-10-23-11-13-24(14-12-23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,21,22,25).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 162643286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).