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

C23H19F3N2O4 — CID 57484811

IUPAC5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cncc(-c2ccc(C3CN(Cc4ccc(OC(F)(F)F)cc4)C(=O)O3)cc2)c1
InChIInChI=1S/C23H19F3N2O4/c1-30-20-10-18(11-27-12-20)16-4-6-17(7-5-16)21-14-28(22(29)31-21)13-15-2-8-19(9-3-15)32-23(24,25)26/h2-12,21H,13-14H2,1H3
InChIKeyJPGRJYKCKIWWJU-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.35
Rot. Bonds6

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

5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 57484811) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID57484811
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cncc(-c2ccc(C3CN(Cc4ccc(OC(F)(F)F)cc4)C(=O)O3)cc2)c1
InChIInChI=1S/C23H19F3N2O4/c1-30-20-10-18(11-27-12-20)16-4-6-17(7-5-16)21-14-28(22(29)31-21)13-15-2-8-19(9-3-15)32-23(24,25)26/h2-12,21H,13-14H2,1H3
InChIKeyJPGRJYKCKIWWJU-UHFFFAOYSA-N
XLogP5.35
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 57484811) is 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is COc1cncc(-c2ccc(C3CN(Cc4ccc(OC(F)(F)F)cc4)C(=O)O3)cc2)c1.
What is the InChIKey of 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is JPGRJYKCKIWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-30-20-10-18(11-27-12-20)16-4-6-17(7-5-16)21-14-28(22(29)31-21)13-15-2-8-19(9-3-15)32-23(24,25)26/h2-12,21H,13-14H2,1H3.
What are the key properties of 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 444.41 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-3-pyridinyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).