5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C14H9F3N2O3 — CID 22270807

IUPAC5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3ccccc3C(F)(F)F)ccc2o1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)9-4-2-1-3-8(9)7-19-6-5-10-11(12(19)20)18-13(21)22-10/h1-6H,7H2,(H,18,21)
InChIKeySJWCLIPUIRSJFR-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.35
Rot. Bonds2

About 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22270807) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22270807
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3ccccc3C(F)(F)F)ccc2o1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)9-4-2-1-3-8(9)7-19-6-5-10-11(12(19)20)18-13(21)22-10/h1-6H,7H2,(H,18,21)
InChIKeySJWCLIPUIRSJFR-UHFFFAOYSA-N
XLogP2.35
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22270807) is 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is O=c1[nH]c2c(=O)n(Cc3ccccc3C(F)(F)F)ccc2o1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is SJWCLIPUIRSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)9-4-2-1-3-8(9)7-19-6-5-10-11(12(19)20)18-13(21)22-10/h1-6H,7H2,(H,18,21).
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 310.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22270807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).