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

C22H19ClN4O3 — CID 55617993

IUPAC5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1
InChIInChI=1S/C22H19ClN4O3/c23-17-5-2-1-4-14(17)15-12-16(15)21(28)26-7-9-27(10-8-26)22-18(13-24)25-20(30-22)19-6-3-11-29-19/h1-6,11,15-16H,7-10,12H2
InChIKeyGSRAIAWFWUHNIF-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.91
Rot. Bonds4

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

5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 55617993) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID55617993
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1
InChIInChI=1S/C22H19ClN4O3/c23-17-5-2-1-4-14(17)15-12-16(15)21(28)26-7-9-27(10-8-26)22-18(13-24)25-20(30-22)19-6-3-11-29-19/h1-6,11,15-16H,7-10,12H2
InChIKeyGSRAIAWFWUHNIF-UHFFFAOYSA-N
XLogP3.91
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 46407290
2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 78862509
N-(2-chlorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 43065748
5-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 46411552
2-(furan-2-yl)-5-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55568817
2-chloro-N'-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]benzohydrazide
CID 46594649
2-(furan-2-yl)-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6463127
2-(furan-2-yl)-5-[4-[(E)-3-phenylbut-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 94654381
methyl 2-(2-chlorophenyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetate
CID 55591678
4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55601474
5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618041
2-(furan-2-yl)-5-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 86924526

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 55617993) is 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CC2c2ccccc2Cl)CC1.
What is the InChIKey of 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is GSRAIAWFWUHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c23-17-5-2-1-4-14(17)15-12-16(15)21(28)26-7-9-27(10-8-26)22-18(13-24)25-20(30-22)19-6-3-11-29-19/h1-6,11,15-16H,7-10,12H2.
What are the key properties of 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 422.87 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 55617993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).