5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one

C19H15FN2O3 — CID 86282448

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C19H15FN2O3/c1-10-17(11(2)25-22-10)12-3-8-16-15(9-12)19(24,18(23)21-16)13-4-6-14(20)7-5-13/h3-9,24H,1-2H3,(H,21,23)
InChIKeyYRQNHDZIROYAAJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.29
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 86282448) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one
PubChem CID86282448
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C19H15FN2O3/c1-10-17(11(2)25-22-10)12-3-8-16-15(9-12)19(24,18(23)21-16)13-4-6-14(20)7-5-13/h3-9,24H,1-2H3,(H,21,23)
InChIKeyYRQNHDZIROYAAJ-UHFFFAOYSA-N
XLogP3.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one (CID 86282448) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is YRQNHDZIROYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-10-17(11(2)25-22-10)12-3-8-16-15(9-12)19(24,18(23)21-16)13-4-6-14(20)7-5-13/h3-9,24H,1-2H3,(H,21,23).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 338.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 86282448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).