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

C15H8F6N2O3 — CID 10177659

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2o1
InChIInChI=1S/C15H8F6N2O3/c16-14(17,18)8-3-7(4-9(5-8)15(19,20)21)6-23-2-1-10-11(12(23)24)22-13(25)26-10/h1-5H,6H2,(H,22,25)
InChIKeyFCTXOZKZNMRGDL-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.37
Rot. Bonds2

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

5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 10177659) has the molecular formula C15H8F6N2O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID10177659
Molecular FormulaC15H8F6N2O3
Molecular Weight378.23 g/mol
Exact Mass378.04
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2o1
InChIInChI=1S/C15H8F6N2O3/c16-14(17,18)8-3-7(4-9(5-8)15(19,20)21)6-23-2-1-10-11(12(23)24)22-13(25)26-10/h1-5H,6H2,(H,22,25)
InChIKeyFCTXOZKZNMRGDL-UHFFFAOYSA-N
XLogP3.37
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 10177659) is 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is O=c1[nH]c2c(=O)n(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2o1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is FCTXOZKZNMRGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O3/c16-14(17,18)8-3-7(4-9(5-8)15(19,20)21)6-23-2-1-10-11(12(23)24)22-13(25)26-10/h1-5H,6H2,(H,22,25).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 378.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 10177659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).