3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

C21H22N6O5S — CID 30891808

IUPAC3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H22N6O5S/c22-14-17-21(32-20(25-17)18-2-1-13-31-18)27-11-9-26(10-12-27)8-7-19(28)24-15-3-5-16(6-4-15)33(23,29)30/h1-6,13H,7-12H2,(H,24,28)(H2,23,29,30)
InChIKeyOYVJGEYIYNRKIL-UHFFFAOYSA-N
MW470.51 g/mol
LogP1.60
Rot. Bonds7

About 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 30891808) has the molecular formula C21H22N6O5S and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID30891808
Molecular FormulaC21H22N6O5S
Molecular Weight470.51 g/mol
Exact Mass470.14
IUPAC Name3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H22N6O5S/c22-14-17-21(32-20(25-17)18-2-1-13-31-18)27-11-9-26(10-12-27)8-7-19(28)24-15-3-5-16(6-4-15)33(23,29)30/h1-6,13H,7-12H2,(H,24,28)(H2,23,29,30)
InChIKeyOYVJGEYIYNRKIL-UHFFFAOYSA-N
XLogP1.60
TPSA158.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-carbamoyl-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 30891778
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-phenylacetamide
CID 46574018
N-(2-chlorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 43065748
N-(4-bromo-2-fluorophenyl)-3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]propanamide
CID 30891820
2-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 30870238
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
2-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 55634358
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55591536
5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 30891811
2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 78862509
2-chloro-N'-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]benzohydrazide
CID 46594649
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide (CID 30891808) is 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide is N#Cc1nc(-c2ccco2)oc1N1CCN(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is OYVJGEYIYNRKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O5S/c22-14-17-21(32-20(25-17)18-2-1-13-31-18)27-11-9-26(10-12-27)8-7-19(28)24-15-3-5-16(6-4-15)33(23,29)30/h1-6,13H,7-12H2,(H,24,28)(H2,23,29,30).
What are the key properties of 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide?
3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 470.51 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 30891808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).