(4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

C21H19F2NO4 — CID 134383662

IUPAC(4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccc(F)cc2F)C[C@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)CO1
InChIInChI=1S/C21H19F2NO4/c1-21(16-8-7-15(22)9-17(16)23)10-14(11-28-21)19(25)24-18(12-27-20(24)26)13-5-3-2-4-6-13/h2-9,14,18H,10-12H2,1H3/t14-,18-,21+/m0/s1
InChIKeyCBCWHTJMTSELER-DHUIEDIVSA-N
MW387.38 g/mol
LogP3.94
Rot. Bonds3

About (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134383662) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134383662
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name(4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccc(F)cc2F)C[C@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)CO1
InChIInChI=1S/C21H19F2NO4/c1-21(16-8-7-15(22)9-17(16)23)10-14(11-28-21)19(25)24-18(12-27-20(24)26)13-5-3-2-4-6-13/h2-9,14,18H,10-12H2,1H3/t14-,18-,21+/m0/s1
InChIKeyCBCWHTJMTSELER-DHUIEDIVSA-N
XLogP3.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (CID 134383662) is (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@]1(c2ccc(F)cc2F)C[C@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)CO1.
What is the InChIKey of (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CBCWHTJMTSELER-DHUIEDIVSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-21(16-8-7-15(22)9-17(16)23)10-14(11-28-21)19(25)24-18(12-27-20(24)26)13-5-3-2-4-6-13/h2-9,14,18H,10-12H2,1H3/t14-,18-,21+/m0/s1.
What are the key properties of (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 387.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3S,5R)-5-(2,4-difluorophenyl)-5-methyloxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134383662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).