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

C17H20N4O2 — CID 942043

IUPAC5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCN1CCN(c2oc(-c3ccccc3OC)nc2C#N)CC1
InChIInChI=1S/C17H20N4O2/c1-3-20-8-10-21(11-9-20)17-14(12-18)19-16(23-17)13-6-4-5-7-15(13)22-2/h4-7H,3,8-11H2,1-2H3
InChIKeyFIRBUORRBCZHRE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.36
Rot. Bonds4

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

5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 942043) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID942043
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCN1CCN(c2oc(-c3ccccc3OC)nc2C#N)CC1
InChIInChI=1S/C17H20N4O2/c1-3-20-8-10-21(11-9-20)17-14(12-18)19-16(23-17)13-6-4-5-7-15(13)22-2/h4-7H,3,8-11H2,1-2H3
InChIKeyFIRBUORRBCZHRE-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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Related Compounds

Methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
CID 685354
2-(4-Methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 693639
2-(2-Fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
1-[4-Cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 2408550
2-Phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 696134
2-(4-Ethoxyphenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 891985
2-(4-Methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 71656056
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-methoxy-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 71660617
2-(2-Methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 891922
2-(4-Fluorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 661055
2-(4-Ethoxyphenyl)-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 661181

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 942043) is 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile is CCN1CCN(c2oc(-c3ccccc3OC)nc2C#N)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FIRBUORRBCZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-20-8-10-21(11-9-20)17-14(12-18)19-16(23-17)13-6-4-5-7-15(13)22-2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-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 5-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 942043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).