4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide

C17H19F2N3O3S — CID 145127553

IUPAC4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESC[C@](F)(C1CCN(C(=O)Nc2ccon2)CC1)S(=O)c1cccc(F)c1
InChIInChI=1S/C17H19F2N3O3S/c1-17(19,26(24)14-4-2-3-13(18)11-14)12-5-8-22(9-6-12)16(23)20-15-7-10-25-21-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,21,23)/t17-,26?/m1/s1
InChIKeyOCZJIRAWTGJQKJ-SIHBAMTISA-N
MW383.42 g/mol
LogP3.55
Rot. Bonds4

About 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide

4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide (PubChem CID 145127553) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
PubChem CID145127553
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC Name4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
SMILESC[C@](F)(C1CCN(C(=O)Nc2ccon2)CC1)S(=O)c1cccc(F)c1
InChIInChI=1S/C17H19F2N3O3S/c1-17(19,26(24)14-4-2-3-13(18)11-14)12-5-8-22(9-6-12)16(23)20-15-7-10-25-21-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,21,23)/t17-,26?/m1/s1
InChIKeyOCZJIRAWTGJQKJ-SIHBAMTISA-N
XLogP3.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-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

Related Compounds

4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 145127499
4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylpropan-2-yl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 145127488
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 122424426
4-[(1R)-1-fluoro-1-[[6-(1-fluoroethoxy)-3-pyridinyl]sulfonyl]ethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 134368534
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 122430326
(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129344240
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127367
N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108811781
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]-N-[2-(1-hydroxyethyl)-4-pyridinyl]piperidine-1-carboxamide
CID 139451750
2-hydroxy-2-(1-methylpiperidin-4-yl)-N-(1,2-oxazol-3-yl)acetamide;hydrobromide
CID 173063810
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 108812009

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide (CID 145127553) is 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide is C[C@](F)(C1CCN(C(=O)Nc2ccon2)CC1)S(=O)c1cccc(F)c1.
What is the InChIKey of 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is OCZJIRAWTGJQKJ-SIHBAMTISA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-17(19,26(24)14-4-2-3-13(18)11-14)12-5-8-22(9-6-12)16(23)20-15-7-10-25-21-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,21,23)/t17-,26?/m1/s1.
What are the key properties of 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide?
4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 145127553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).