(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate

C20H16N2O4 — CID 94819466

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc21)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16N2O4/c23-19(11-16-15-8-4-5-9-17(15)21-20(16)24)25-12-14-10-18(26-22-14)13-6-2-1-3-7-13/h1-10,16H,11-12H2,(H,21,24)/t16-/m0/s1
InChIKeyIHCKKRMNSCKQHA-INIZCTEOSA-N
MW348.36 g/mol
LogP3.51
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate (PubChem CID 94819466) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
PubChem CID94819466
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate
SMILESO=C(C[C@@H]1C(=O)Nc2ccccc21)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16N2O4/c23-19(11-16-15-8-4-5-9-17(15)21-20(16)24)25-12-14-10-18(26-22-14)13-6-2-1-3-7-13/h1-10,16H,11-12H2,(H,21,24)/t16-/m0/s1
InChIKeyIHCKKRMNSCKQHA-INIZCTEOSA-N
XLogP3.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate (CID 94819466) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate is O=C(C[C@@H]1C(=O)Nc2ccccc21)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
The InChIKey is IHCKKRMNSCKQHA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(11-16-15-8-4-5-9-17(15)21-20(16)24)25-12-14-10-18(26-22-14)13-6-2-1-3-7-13/h1-10,16H,11-12H2,(H,21,24)/t16-/m0/s1.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate has a molecular weight of 348.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 94819466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).