(4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one

C14H17ClFNO2 — CID 59135168

IUPAC(4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(F)cc(Cl)c2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C14H17ClFNO2/c1-8-12(9-5-10(15)7-11(16)6-9)19-13(18)17(8)14(2,3)4/h5-8,12H,1-4H3/t8-,12-/m0/s1
InChIKeyWOELLMVBCURBMR-UFBFGSQYSA-N
MW285.75 g/mol
LogP4.16
Rot. Bonds1

About (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135168) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID59135168
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(F)cc(Cl)c2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C14H17ClFNO2/c1-8-12(9-5-10(15)7-11(16)6-9)19-13(18)17(8)14(2,3)4/h5-8,12H,1-4H3/t8-,12-/m0/s1
InChIKeyWOELLMVBCURBMR-UFBFGSQYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 59135168) is (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2cc(F)cc(Cl)c2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is WOELLMVBCURBMR-UFBFGSQYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-8-12(9-5-10(15)7-11(16)6-9)19-13(18)17(8)14(2,3)4/h5-8,12H,1-4H3/t8-,12-/m0/s1.
What are the key properties of (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 285.75 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-tert-butyl-5-(3-chloro-5-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).