N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C26H32N4O2 — CID 108798077

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1
InChIInChI=1S/C26H32N4O2/c1-19(2)20-4-6-21(7-5-20)24-18-27-26(32-24)13-12-25(31)28-22-8-10-23(11-9-22)30-16-14-29(3)15-17-30/h4-11,18-19H,12-17H2,1-3H3,(H,28,31)
InChIKeyGJVKZZPCLZWUGH-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.79
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108798077) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID108798077
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1
InChIInChI=1S/C26H32N4O2/c1-19(2)20-4-6-21(7-5-20)24-18-27-26(32-24)13-12-25(31)28-22-8-10-23(11-9-22)30-16-14-29(3)15-17-30/h4-11,18-19H,12-17H2,1-3H3,(H,28,31)
InChIKeyGJVKZZPCLZWUGH-UHFFFAOYSA-N
XLogP4.79
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784918
5-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]benzene-1,3-dicarboxylic acid
CID 108784921
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
N-(2-morpholin-4-ylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784875
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798140
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579833
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18149177
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
N-(6-methyl-2-pyridinyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798165

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108798077) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is GJVKZZPCLZWUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)20-4-6-21(7-5-20)24-18-27-26(32-24)13-12-25(31)28-22-8-10-23(11-9-22)30-16-14-29(3)15-17-30/h4-11,18-19H,12-17H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108798077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).