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

C19H16N2O3 — CID 86296101

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2
InChIInChI=1S/C19H16N2O3/c1-11-17(12(2)24-21-11)13-8-9-16-15(10-13)19(23,18(22)20-16)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,20,22)
InChIKeyXJPHRHZKIAVBTN-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.15
Rot. Bonds2

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one (PubChem CID 86296101) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one
PubChem CID86296101
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2
InChIInChI=1S/C19H16N2O3/c1-11-17(12(2)24-21-11)13-8-9-16-15(10-13)19(23,18(22)20-16)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,20,22)
InChIKeyXJPHRHZKIAVBTN-UHFFFAOYSA-N
XLogP3.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.15
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-hydroxy-3-phenyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one (CID 86296101) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one?
The InChIKey is XJPHRHZKIAVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-17(12(2)24-21-11)13-8-9-16-15(10-13)19(23,18(22)20-16)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,20,22).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-phenyl-1H-indol-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.15, 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-hydroxy-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86296101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).