4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide

C22H30N6O5S — CID 55601474

IUPAC4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1
InChIInChI=1S/C22H30N6O5S/c1-3-27(4-2)34(30,31)28-13-11-25(12-14-28)21(29)17-7-9-26(10-8-17)22-18(16-23)24-20(33-22)19-6-5-15-32-19/h5-6,15,17H,3-4,7-14H2,1-2H3
InChIKeyFRHLRUDSPMWQAM-UHFFFAOYSA-N
MW490.59 g/mol
LogP1.75
Rot. Bonds7

About 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide

4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 55601474) has the molecular formula C22H30N6O5S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
PubChem CID55601474
Molecular FormulaC22H30N6O5S
Molecular Weight490.59 g/mol
Exact Mass490.20
IUPAC Name4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1
InChIInChI=1S/C22H30N6O5S/c1-3-27(4-2)34(30,31)28-13-11-25(12-14-28)21(29)17-7-9-26(10-8-17)22-18(16-23)24-20(33-22)19-6-5-15-32-19/h5-6,15,17H,3-4,7-14H2,1-2H3
InChIKeyFRHLRUDSPMWQAM-UHFFFAOYSA-N
XLogP1.75
TPSA127.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide (CID 55601474) is 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1.
What is the InChIKey of 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is FRHLRUDSPMWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O5S/c1-3-27(4-2)34(30,31)28-13-11-25(12-14-28)21(29)17-7-9-26(10-8-17)22-18(16-23)24-20(33-22)19-6-5-15-32-19/h5-6,15,17H,3-4,7-14H2,1-2H3.
What are the key properties of 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide?
4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 490.59 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 55601474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).