2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

C21H20N4O — CID 663972

IUPAC2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20N4O/c22-16-19-21(26-20(23-19)15-17-7-3-1-4-8-17)25-13-11-24(12-14-25)18-9-5-2-6-10-18/h1-10H,11-15H2
InChIKeyDBZJZMNGDWRLGR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.46
Rot. Bonds4

About 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 663972) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID663972
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20N4O/c22-16-19-21(26-20(23-19)15-17-7-3-1-4-8-17)25-13-11-24(12-14-25)18-9-5-2-6-10-18/h1-10H,11-15H2
InChIKeyDBZJZMNGDWRLGR-UHFFFAOYSA-N
XLogP3.46
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CID 663972) is 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is DBZJZMNGDWRLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-16-19-21(26-20(23-19)15-17-7-3-1-4-8-17)25-13-11-24(12-14-25)18-9-5-2-6-10-18/h1-10H,11-15H2.
What are the key properties of 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 344.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).