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

C18H16F3NO3 — CID 44591771

IUPAC(5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)O1
InChIInChI=1S/C18H16F3NO3/c1-12-10-22(17(23)24-12)11-13-2-4-14(5-3-13)15-6-8-16(9-7-15)25-18(19,20)21/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyATUWQNWKWUCHNT-GFCCVEGCSA-N
MW351.32 g/mol
LogP4.59
Rot. Bonds4

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

(5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 44591771) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID44591771
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name(5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)O1
InChIInChI=1S/C18H16F3NO3/c1-12-10-22(17(23)24-12)11-13-2-4-14(5-3-13)15-6-8-16(9-7-15)25-18(19,20)21/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyATUWQNWKWUCHNT-GFCCVEGCSA-N
XLogP4.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (CID 44591771) is (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ATUWQNWKWUCHNT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-12-10-22(17(23)24-12)11-13-2-4-14(5-3-13)15-6-8-16(9-7-15)25-18(19,20)21/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
(5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 351.32 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).