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

C21H20N4O2 — CID 664788

IUPAC2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C21H20N4O2/c1-26-19-10-6-5-9-17(19)20-23-18(15-22)21(27-20)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyZHXAAIPSGHPYMM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.55
Rot. Bonds4

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

2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 664788) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID664788
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C21H20N4O2/c1-26-19-10-6-5-9-17(19)20-23-18(15-22)21(27-20)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyZHXAAIPSGHPYMM-UHFFFAOYSA-N
XLogP3.55
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CID 664788) is 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is COc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ZHXAAIPSGHPYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-19-10-6-5-9-17(19)20-23-18(15-22)21(27-20)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).