2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

C17H20N4O2 — CID 892081

IUPAC2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C17H20N4O2/c1-3-22-14-6-4-13(5-7-14)16-19-15(12-18)17(23-16)21-10-8-20(2)9-11-21/h4-7H,3,8-11H2,1-2H3
InChIKeyOYAJGXDSVFXBGY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 892081) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
PubChem CID892081
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
SMILESCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C17H20N4O2/c1-3-22-14-6-4-13(5-7-14)16-19-15(12-18)17(23-16)21-10-8-20(2)9-11-21/h4-7H,3,8-11H2,1-2H3
InChIKeyOYAJGXDSVFXBGY-UHFFFAOYSA-N
XLogP2.36
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CID 892081) is 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is CCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is OYAJGXDSVFXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-22-14-6-4-13(5-7-14)16-19-15(12-18)17(23-16)21-10-8-20(2)9-11-21/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).