3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one

C26H25F3N2O3 — CID 11619752

IUPAC3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccn2)OC1=O
InChIInChI=1S/C26H25F3N2O3/c1-16(2)17-7-10-23(33-3)21(13-17)20-9-8-19(26(27,28)29)12-18(20)14-31-15-24(34-25(31)32)22-6-4-5-11-30-22/h4-13,16,24H,14-15H2,1-3H3
InChIKeyGTOZFCKNLCUMDS-UHFFFAOYSA-N
MW470.49 g/mol
LogP6.59
Rot. Bonds6

About 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one

3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one (PubChem CID 11619752) has the molecular formula C26H25F3N2O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one
PubChem CID11619752
Molecular FormulaC26H25F3N2O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC Name3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccn2)OC1=O
InChIInChI=1S/C26H25F3N2O3/c1-16(2)17-7-10-23(33-3)21(13-17)20-9-8-19(26(27,28)29)12-18(20)14-31-15-24(34-25(31)32)22-6-4-5-11-30-22/h4-13,16,24H,14-15H2,1-3H3
InChIKeyGTOZFCKNLCUMDS-UHFFFAOYSA-N
XLogP6.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.49
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one (CID 11619752) is 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccn2)OC1=O.
What is the InChIKey of 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GTOZFCKNLCUMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3/c1-16(2)17-7-10-23(33-3)21(13-17)20-9-8-19(26(27,28)29)12-18(20)14-31-15-24(34-25(31)32)22-6-4-5-11-30-22/h4-13,16,24H,14-15H2,1-3H3.
What are the key properties of 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one?
3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one has a molecular weight of 470.49 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-pyridin-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11619752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).