(3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

C22H21FN2O5S — CID 37144539

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H21FN2O5S/c23-19-8-4-5-9-21(19)31(27,28)25-12-10-17(11-13-25)22(26)29-15-18-14-20(24-30-18)16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2
InChIKeyVTOHNXFHVYQOKC-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.62
Rot. Bonds6

About (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

(3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 37144539) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID37144539
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H21FN2O5S/c23-19-8-4-5-9-21(19)31(27,28)25-12-10-17(11-13-25)22(26)29-15-18-14-20(24-30-18)16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2
InChIKeyVTOHNXFHVYQOKC-UHFFFAOYSA-N
XLogP3.62
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate (CID 37144539) is (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate is O=C(OCc1cc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is VTOHNXFHVYQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c23-19-8-4-5-9-21(19)31(27,28)25-12-10-17(11-13-25)22(26)29-15-18-14-20(24-30-18)16-6-2-1-3-7-16/h1-9,14,17H,10-13,15H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 444.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 37144539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).