[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate

C21H18N2O4 — CID 86282865

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C21H18N2O4/c1-12-19(13(2)27-23-12)15-9-10-18-17(11-15)21(20(25)22-18,26-14(3)24)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,22,25)
InChIKeyYJUUYNSHQAXQKU-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.72
Rot. Bonds3

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate (PubChem CID 86282865) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate
PubChem CID86282865
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C21H18N2O4/c1-12-19(13(2)27-23-12)15-9-10-18-17(11-15)21(20(25)22-18,26-14(3)24)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,22,25)
InChIKeyYJUUYNSHQAXQKU-UHFFFAOYSA-N
XLogP3.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate (CID 86282865) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate is CC(=O)OC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate?
The InChIKey is YJUUYNSHQAXQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12-19(13(2)27-23-12)15-9-10-18-17(11-15)21(20(25)22-18,26-14(3)24)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,22,25).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate has a molecular weight of 362.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl] acetate is sourced from PubChem (CID 86282865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).