2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C21H19F2N5O3S — CID 34240996

IUPAC2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C21H19F2N5O3S/c22-21(23)32-15-5-3-14(4-6-15)25-18(29)13-27-7-9-28(10-8-27)20-16(12-24)26-19(31-20)17-2-1-11-30-17/h1-6,11,21H,7-10,13H2,(H,25,29)
InChIKeyWZIBFOXOKXZJGX-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.88
Rot. Bonds7

About 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 34240996) has the molecular formula C21H19F2N5O3S and a molecular weight of 459.48 g/mol. Its IUPAC name is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID34240996
Molecular FormulaC21H19F2N5O3S
Molecular Weight459.48 g/mol
Exact Mass459.12
IUPAC Name2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C21H19F2N5O3S/c22-21(23)32-15-5-3-14(4-6-15)25-18(29)13-27-7-9-28(10-8-27)20-16(12-24)26-19(31-20)17-2-1-11-30-17/h1-6,11,21H,7-10,13H2,(H,25,29)
InChIKeyWZIBFOXOKXZJGX-UHFFFAOYSA-N
XLogP3.88
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 34240996) is 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is WZIBFOXOKXZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3S/c22-21(23)32-15-5-3-14(4-6-15)25-18(29)13-27-7-9-28(10-8-27)20-16(12-24)26-19(31-20)17-2-1-11-30-17/h1-6,11,21H,7-10,13H2,(H,25,29).
What are the key properties of 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 459.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 34240996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).