N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide

C17H18F3N3O4S — CID 108562392

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H18F3N3O4S/c1-9-16(10(2)27-22-9)28(25,26)23-7-5-11(6-8-23)21-17(24)12-3-4-13(18)15(20)14(12)19/h3-4,11H,5-8H2,1-2H3,(H,21,24)
InChIKeyPRDPZLNJKIAWLX-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.29
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide (PubChem CID 108562392) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide
PubChem CID108562392
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H18F3N3O4S/c1-9-16(10(2)27-22-9)28(25,26)23-7-5-11(6-8-23)21-17(24)12-3-4-13(18)15(20)14(12)19/h3-4,11H,5-8H2,1-2H3,(H,21,24)
InChIKeyPRDPZLNJKIAWLX-UHFFFAOYSA-N
XLogP2.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-6-fluorobenzamide
CID 108563065
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569871
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
3,5-dimethyl-4-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 113081207
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetamide
CID 108558954
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560873
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylazetidine-1-carboxamide
CID 167767753
tert-butyl N-[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558875
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide (CID 108562392) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide is Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide?
The InChIKey is PRDPZLNJKIAWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c1-9-16(10(2)27-22-9)28(25,26)23-7-5-11(6-8-23)21-17(24)12-3-4-13(18)15(20)14(12)19/h3-4,11H,5-8H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide has a molecular weight of 417.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 108562392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).