2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole

C22H27N3O — CID 18982056

IUPAC2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCO3)C2)cc1
InChIInChI=1S/C22H27N3O/c1-3-7-19(8-4-1)16-24-12-13-25(17-20-9-5-2-6-10-20)21(18-24)15-22-23-11-14-26-22/h1-10,21H,11-18H2
InChIKeyHONXETXOONSRGV-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.19
Rot. Bonds6

About 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole

2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 18982056) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID18982056
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCO3)C2)cc1
InChIInChI=1S/C22H27N3O/c1-3-7-19(8-4-1)16-24-12-13-25(17-20-9-5-2-6-10-20)21(18-24)15-22-23-11-14-26-22/h1-10,21H,11-18H2
InChIKeyHONXETXOONSRGV-UHFFFAOYSA-N
XLogP3.19
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole (CID 18982056) is 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole is c1ccc(CN2CCN(Cc3ccccc3)C(CC3=NCCO3)C2)cc1.
What is the InChIKey of 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HONXETXOONSRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-7-19(8-4-1)16-24-12-13-25(17-20-9-5-2-6-10-20)21(18-24)15-22-23-11-14-26-22/h1-10,21H,11-18H2.
What are the key properties of 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole?
2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 349.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dibenzylpiperazin-2-yl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18982056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).