5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole

C23H27N3O2 — CID 10292991

IUPAC5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole
SMILESCN1CCN(CCCOc2ccc(-c3cc(-c4ccccc4)no3)cc2)CC1
InChIInChI=1S/C23H27N3O2/c1-25-13-15-26(16-14-25)12-5-17-27-21-10-8-20(9-11-21)23-18-22(24-28-23)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3
InChIKeyMQEXODZBBPIOMB-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.02
Rot. Bonds7

About 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole

5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole (PubChem CID 10292991) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole
PubChem CID10292991
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole
SMILESCN1CCN(CCCOc2ccc(-c3cc(-c4ccccc4)no3)cc2)CC1
InChIInChI=1S/C23H27N3O2/c1-25-13-15-26(16-14-25)12-5-17-27-21-10-8-20(9-11-21)23-18-22(24-28-23)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3
InChIKeyMQEXODZBBPIOMB-UHFFFAOYSA-N
XLogP4.02
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 55717
CID 55717
CID 1786
CID 1786
CID 3082640
CID 3082640
CID 279122
CID 279122
CID 6619182
CID 6619182
CID 17252835
CID 17252835
CID 1790
CID 1790
CID 5271219
CID 5271219
CID 5271226
CID 5271226
CID 5271231
CID 5271231
CID 5271232
CID 5271232
CID 5271239
CID 5271239

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole (CID 10292991) is 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole is CN1CCN(CCCOc2ccc(-c3cc(-c4ccccc4)no3)cc2)CC1.
What is the InChIKey of 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole?
The InChIKey is MQEXODZBBPIOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25-13-15-26(16-14-25)12-5-17-27-21-10-8-20(9-11-21)23-18-22(24-28-23)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3.
What are the key properties of 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole?
5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole has a molecular weight of 377.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 10292991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).