2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine

C26H34N4O — CID 56929606

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCCc1oc(CNCCN2CCN(c3cccc(C)c3)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H34N4O/c1-3-8-24-26(22-10-5-4-6-11-22)28-25(31-24)20-27-13-14-29-15-17-30(18-16-29)23-12-7-9-21(2)19-23/h4-7,9-12,19,27H,3,8,13-18,20H2,1-2H3
InChIKeyOEEKBSNXILJSGP-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.51
Rot. Bonds9

About 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine

2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 56929606) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID56929606
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCCc1oc(CNCCN2CCN(c3cccc(C)c3)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H34N4O/c1-3-8-24-26(22-10-5-4-6-11-22)28-25(31-24)20-27-13-14-29-15-17-30(18-16-29)23-12-7-9-21(2)19-23/h4-7,9-12,19,27H,3,8,13-18,20H2,1-2H3
InChIKeyOEEKBSNXILJSGP-UHFFFAOYSA-N
XLogP4.51
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 56928324
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 56928320
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
CID 62573588
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[[4-(3-methylphenyl)-1,5-diphenylpyrazol-3-yl]methyl]ethanamine
CID 69277400
4-methyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,3-oxazole
CID 22762519
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 27041646
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 56929606) is 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine is CCCc1oc(CNCCN2CCN(c3cccc(C)c3)CC2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is OEEKBSNXILJSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-3-8-24-26(22-10-5-4-6-11-22)28-25(31-24)20-27-13-14-29-15-17-30(18-16-29)23-12-7-9-21(2)19-23/h4-7,9-12,19,27H,3,8,13-18,20H2,1-2H3.
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine?
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 418.59 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 56929606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).