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

C18H16N4OS — CID 891859

IUPAC5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H16N4OS/c19-13-15-18(23-17(20-15)16-7-4-12-24-16)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11H2
InChIKeyBXTXCZOPIMGXKE-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.60
Rot. Bonds3

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

5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 891859) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID891859
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H16N4OS/c19-13-15-18(23-17(20-15)16-7-4-12-24-16)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11H2
InChIKeyBXTXCZOPIMGXKE-UHFFFAOYSA-N
XLogP3.60
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 891859) is 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is BXTXCZOPIMGXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c19-13-15-18(23-17(20-15)16-7-4-12-24-16)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11H2.
What are the key properties of 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 336.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).