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

C18H22N4O2 — CID 665011

IUPAC5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C18H22N4O2/c1-3-12-23-15-6-4-14(5-7-15)17-20-16(13-19)18(24-17)22-10-8-21(2)9-11-22/h4-7H,3,8-12H2,1-2H3
InChIKeyUFGZZLAIIZLAOH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds5

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

5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 665011) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID665011
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1
InChIInChI=1S/C18H22N4O2/c1-3-12-23-15-6-4-14(5-7-15)17-20-16(13-19)18(24-17)22-10-8-21(2)9-11-22/h4-7H,3,8-12H2,1-2H3
InChIKeyUFGZZLAIIZLAOH-UHFFFAOYSA-N
XLogP2.75
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 665011) is 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile is CCCOc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)cc1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is UFGZZLAIIZLAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-12-23-15-6-4-14(5-7-15)17-20-16(13-19)18(24-17)22-10-8-21(2)9-11-22/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 326.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 665011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).