[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

C18H19F3N4O3 — CID 155250730

IUPAC[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1nnc(N2CC[C@H](C(=O)N3OCC[C@@H]3c3cc(F)cc(F)c3)[C@H](F)C2)o1
InChIInChI=1S/C18H19F3N4O3/c1-10-22-23-18(28-10)24-4-2-14(15(21)9-24)17(26)25-16(3-5-27-25)11-6-12(19)8-13(20)7-11/h6-8,14-16H,2-5,9H2,1H3/t14-,15+,16+/m0/s1
InChIKeyPYEJTGXGYJAACJ-ARFHVFGLSA-N
MW396.37 g/mol
LogP2.73
Rot. Bonds3

About [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone

[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 155250730) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
PubChem CID155250730
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1nnc(N2CC[C@H](C(=O)N3OCC[C@@H]3c3cc(F)cc(F)c3)[C@H](F)C2)o1
InChIInChI=1S/C18H19F3N4O3/c1-10-22-23-18(28-10)24-4-2-14(15(21)9-24)17(26)25-16(3-5-27-25)11-6-12(19)8-13(20)7-11/h6-8,14-16H,2-5,9H2,1H3/t14-,15+,16+/m0/s1
InChIKeyPYEJTGXGYJAACJ-ARFHVFGLSA-N
XLogP2.73
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone (CID 155250730) is [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is Cc1nnc(N2CC[C@H](C(=O)N3OCC[C@@H]3c3cc(F)cc(F)c3)[C@H](F)C2)o1.
What is the InChIKey of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is PYEJTGXGYJAACJ-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-10-22-23-18(28-10)24-4-2-14(15(21)9-24)17(26)25-16(3-5-27-25)11-6-12(19)8-13(20)7-11/h6-8,14-16H,2-5,9H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone?
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 396.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155250730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).