5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C19H18N4O2 — CID 664562

IUPAC5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c20-13-16-19(25-18(21-16)17-7-4-12-24-17)23-10-8-22(9-11-23)14-15-5-2-1-3-6-15/h1-7,12H,8-11,14H2
InChIKeyHAMNLVCHMBVYCU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.13
Rot. Bonds4

About 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 664562) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID664562
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c20-13-16-19(25-18(21-16)17-7-4-12-24-17)23-10-8-22(9-11-23)14-15-5-2-1-3-6-15/h1-7,12H,8-11,14H2
InChIKeyHAMNLVCHMBVYCU-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 664562) is 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is HAMNLVCHMBVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-13-16-19(25-18(21-16)17-7-4-12-24-17)23-10-8-22(9-11-23)14-15-5-2-1-3-6-15/h1-7,12H,8-11,14H2.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).