(4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C18H16F3NO3 — CID 138978446

IUPAC(4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO3/c1-24-15-8-2-12(3-9-15)10-22-16(11-25-17(22)23)13-4-6-14(7-5-13)18(19,20)21/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyULHIJINYAXVJDE-INIZCTEOSA-N
MW351.32 g/mol
LogP4.41
Rot. Bonds4

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

(4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 138978446) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID138978446
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name(4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO3/c1-24-15-8-2-12(3-9-15)10-22-16(11-25-17(22)23)13-4-6-14(7-5-13)18(19,20)21/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyULHIJINYAXVJDE-INIZCTEOSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 138978446) is (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OC[C@H]2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ULHIJINYAXVJDE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-24-15-8-2-12(3-9-15)10-22-16(11-25-17(22)23)13-4-6-14(7-5-13)18(19,20)21/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 351.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138978446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).