5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C18H15ClN4O2 — CID 663864

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H15ClN4O2/c19-13-3-1-4-14(11-13)22-6-8-23(9-7-22)18-15(12-20)21-17(25-18)16-5-2-10-24-16/h1-5,10-11H,6-9H2
InChIKeyPZRCZOPITMIRAL-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.79
Rot. Bonds3

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 663864) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID663864
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H15ClN4O2/c19-13-3-1-4-14(11-13)22-6-8-23(9-7-22)18-15(12-20)21-17(25-18)16-5-2-10-24-16/h1-5,10-11H,6-9H2
InChIKeyPZRCZOPITMIRAL-UHFFFAOYSA-N
XLogP3.79
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Furan-2-yl)-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
CID 663571
5-[4-(Diphenylmethyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 663839
2-(Furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 663891
2-(2-Furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile
CID 664562
2-(Furan-2-yl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664655
2-(Furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664671
5-(3,5-Dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 2963490
2-[(3-Chlorophenoxy)methyl]-5-[(furan-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 5308444
2-(5-(Phenoxymethyl)furan-2-yl)-5-(piperidin-1-yl)oxazole-4-carbonitrile
CID 16014876
5-[4-(3-Chlorophenyl)piperazin-1-yl]-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
CID 16014915
5-(Sec-butylamino)-2-(5-((4-chlorophenoxy)methyl)furan-2-yl)oxazole-4-carbonitrile
CID 16014920
2-(5-((4-Chlorophenoxy)methyl)furan-2-yl)-5-((3-methoxypropyl)amino)oxazole-4-carbonitrile
CID 16014941

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 663864) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is PZRCZOPITMIRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-13-3-1-4-14(11-13)22-6-8-23(9-7-22)18-15(12-20)21-17(25-18)16-5-2-10-24-16/h1-5,10-11H,6-9H2.
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 354.80 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).