4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide

C18H22F2N4O5S — CID 134368534

IUPAC4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCC(F)Oc1ccc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)cn1
InChIInChI=1S/C18H22F2N4O5S/c1-12(19)29-16-4-3-14(11-21-16)30(26,27)18(2,20)13-5-8-24(9-6-13)17(25)22-15-7-10-28-23-15/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,22,23,25)/t12?,18-/m1/s1
InChIKeyFILSMYWATPHLIQ-VMHBGOFLSA-N
MW444.46 g/mol
LogP3.17
Rot. Bonds6

About 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide

4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide (PubChem CID 134368534) has the molecular formula C18H22F2N4O5S and a molecular weight of 444.46 g/mol. Its IUPAC name is 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
PubChem CID134368534
Molecular FormulaC18H22F2N4O5S
Molecular Weight444.46 g/mol
Exact Mass444.13
IUPAC Name4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESCC(F)Oc1ccc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)cn1
InChIInChI=1S/C18H22F2N4O5S/c1-12(19)29-16-4-3-14(11-21-16)30(26,27)18(2,20)13-5-8-24(9-6-13)17(25)22-15-7-10-28-23-15/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,22,23,25)/t12?,18-/m1/s1
InChIKeyFILSMYWATPHLIQ-VMHBGOFLSA-N
XLogP3.17
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide (CID 134368534) is 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide is CC(F)Oc1ccc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Nc3ccon3)CC2)cn1.
What is the InChIKey of 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is FILSMYWATPHLIQ-VMHBGOFLSA-N. The full InChI is InChI=1S/C18H22F2N4O5S/c1-12(19)29-16-4-3-14(11-21-16)30(26,27)18(2,20)13-5-8-24(9-6-13)17(25)22-15-7-10-28-23-15/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,22,23,25)/t12?,18-/m1/s1.
What are the key properties of 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 134368534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).