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

C17H10N2O3 — CID 135975995

IUPAC2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one
SMILESO=C1C(c2onc(-c3ccccc3)c2O)=Nc2ccccc21
InChIInChI=1S/C17H10N2O3/c20-15-11-8-4-5-9-12(11)18-14(15)17-16(21)13(19-22-17)10-6-2-1-3-7-10/h1-9,21H
InChIKeyKJJLSZDXRKKUST-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.36
Rot. Bonds2

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

2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one (PubChem CID 135975995) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one
PubChem CID135975995
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one
SMILESO=C1C(c2onc(-c3ccccc3)c2O)=Nc2ccccc21
InChIInChI=1S/C17H10N2O3/c20-15-11-8-4-5-9-12(11)18-14(15)17-16(21)13(19-22-17)10-6-2-1-3-7-10/h1-9,21H
InChIKeyKJJLSZDXRKKUST-UHFFFAOYSA-N
XLogP3.36
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one?
The IUPAC name of 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one (CID 135975995) is 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one.
What is the SMILES notation for 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one?
The canonical SMILES for 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one is O=C1C(c2onc(-c3ccccc3)c2O)=Nc2ccccc21.
What is the InChIKey of 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one?
The InChIKey is KJJLSZDXRKKUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c20-15-11-8-4-5-9-12(11)18-14(15)17-16(21)13(19-22-17)10-6-2-1-3-7-10/h1-9,21H.
What are the key properties of 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one?
2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one has a molecular weight of 290.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one is sourced from PubChem (CID 135975995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).