(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

C16H18FN3O4S — CID 129342477

IUPAC(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@@H](c2nnc(C3(c4ccc(F)cc4)CC3)o2)C1
InChIInChI=1S/C16H18FN3O4S/c1-25(21,22)20-8-9-23-13(10-20)14-18-19-15(24-14)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1
InChIKeyUBEYVSOUMZNOIH-CYBMUJFWSA-N
MW367.40 g/mol
LogP1.62
Rot. Bonds4

About (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine

(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (PubChem CID 129342477) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
PubChem CID129342477
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCO[C@@H](c2nnc(C3(c4ccc(F)cc4)CC3)o2)C1
InChIInChI=1S/C16H18FN3O4S/c1-25(21,22)20-8-9-23-13(10-20)14-18-19-15(24-14)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1
InChIKeyUBEYVSOUMZNOIH-CYBMUJFWSA-N
XLogP1.62
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The IUPAC name of (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine (CID 129342477) is (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCO[C@@H](c2nnc(C3(c4ccc(F)cc4)CC3)o2)C1.
What is the InChIKey of (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
The InChIKey is UBEYVSOUMZNOIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-25(21,22)20-8-9-23-13(10-20)14-18-19-15(24-14)16(6-7-16)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine?
(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine has a molecular weight of 367.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 129342477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).