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

C27H36N4O — CID 56928324

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCCCc1oc(CNCCCN2CCN(c3cccc(C)c3)CC2)nc1-c1ccccc1
InChIInChI=1S/C27H36N4O/c1-3-9-25-27(23-11-5-4-6-12-23)29-26(32-25)21-28-14-8-15-30-16-18-31(19-17-30)24-13-7-10-22(2)20-24/h4-7,10-13,20,28H,3,8-9,14-19,21H2,1-2H3
InChIKeyDJUONZJNWFEWPT-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.90
Rot. Bonds10

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

3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine (PubChem CID 56928324) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
PubChem CID56928324
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
SMILESCCCc1oc(CNCCCN2CCN(c3cccc(C)c3)CC2)nc1-c1ccccc1
InChIInChI=1S/C27H36N4O/c1-3-9-25-27(23-11-5-4-6-12-23)29-26(32-25)21-28-14-8-15-30-16-18-31(19-17-30)24-13-7-10-22(2)20-24/h4-7,10-13,20,28H,3,8-9,14-19,21H2,1-2H3
InChIKeyDJUONZJNWFEWPT-UHFFFAOYSA-N
XLogP4.90
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine (CID 56928324) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine is CCCc1oc(CNCCCN2CCN(c3cccc(C)c3)CC2)nc1-c1ccccc1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
The InChIKey is DJUONZJNWFEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-3-9-25-27(23-11-5-4-6-12-23)29-26(32-25)21-28-14-8-15-30-16-18-31(19-17-30)24-13-7-10-22(2)20-24/h4-7,10-13,20,28H,3,8-9,14-19,21H2,1-2H3.
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine has a molecular weight of 432.61 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(4-phenyl-5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 56928324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).