2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole

C21H23N3O2 — CID 8592229

IUPAC2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESCOc1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C21H23N3O2/c1-25-19-9-5-8-18(14-19)24-12-10-23(11-13-24)16-21-22-15-20(26-21)17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3
InChIKeyVGHUEAOJYRBZPO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.67
Rot. Bonds5

About 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole

2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole (PubChem CID 8592229) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
PubChem CID8592229
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESCOc1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C21H23N3O2/c1-25-19-9-5-8-18(14-19)24-12-10-23(11-13-24)16-21-22-15-20(26-21)17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3
InChIKeyVGHUEAOJYRBZPO-UHFFFAOYSA-N
XLogP3.67
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole (CID 8592229) is 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole is COc1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The InChIKey is VGHUEAOJYRBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-19-9-5-8-18(14-19)24-12-10-23(11-13-24)16-21-22-15-20(26-21)17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole?
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole has a molecular weight of 349.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 8592229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).