(5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C17H14F4N2O3 — CID 44591794

IUPAC(5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)nc2)C(=O)O1
InChIInChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyHEEXJOMSNBMMTL-SNVBAGLBSA-N
MW370.30 g/mol
LogP4.13
Rot. Bonds4

About (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591794) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591794
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name(5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)nc2)C(=O)O1
InChIInChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyHEEXJOMSNBMMTL-SNVBAGLBSA-N
XLogP4.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591794) is (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)nc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is HEEXJOMSNBMMTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-10-8-23(16(24)25-10)9-11-2-5-15(22-7-11)13-4-3-12(6-14(13)18)26-17(19,20)21/h2-7,10H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 370.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).