3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide

C18H24FN3O3S — CID 110099324

IUPAC3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C)(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C18H24FN3O3S/c1-18(8-5-9-22(13-18)26(23,24)21(2)3)17-20-12-16(25-17)11-14-6-4-7-15(19)10-14/h4,6-7,10,12H,5,8-9,11,13H2,1-3H3
InChIKeyLQSMCUPIVGBJCR-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.56
Rot. Bonds5

About 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide

3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide (PubChem CID 110099324) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide
PubChem CID110099324
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC Name3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C)(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C18H24FN3O3S/c1-18(8-5-9-22(13-18)26(23,24)21(2)3)17-20-12-16(25-17)11-14-6-4-7-15(19)10-14/h4,6-7,10,12H,5,8-9,11,13H2,1-3H3
InChIKeyLQSMCUPIVGBJCR-UHFFFAOYSA-N
XLogP2.56
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide (CID 110099324) is 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(C)(c2ncc(Cc3cccc(F)c3)o2)C1.
What is the InChIKey of 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide?
The InChIKey is LQSMCUPIVGBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c1-18(8-5-9-22(13-18)26(23,24)21(2)3)17-20-12-16(25-17)11-14-6-4-7-15(19)10-14/h4,6-7,10,12H,5,8-9,11,13H2,1-3H3.
What are the key properties of 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide?
3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide has a molecular weight of 381.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110099324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).