5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile

C19H24N4O2 — CID 664629

IUPAC5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-13-24-16-7-5-15(6-8-16)18-21-17(14-20)19(25-18)23-11-9-22(4-2)10-12-23/h5-8H,3-4,9-13H2,1-2H3
InChIKeyXTWUFIGSHOSSSS-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.14
Rot. Bonds6

About 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile

5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 664629) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID664629
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1
InChIInChI=1S/C19H24N4O2/c1-3-13-24-16-7-5-15(6-8-16)18-21-17(14-20)19(25-18)23-11-9-22(4-2)10-12-23/h5-8H,3-4,9-13H2,1-2H3
InChIKeyXTWUFIGSHOSSSS-UHFFFAOYSA-N
XLogP3.14
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 664629) is 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile is CCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is XTWUFIGSHOSSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-13-24-16-7-5-15(6-8-16)18-21-17(14-20)19(25-18)23-11-9-22(4-2)10-12-23/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).