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

C23H22N2O4 — CID 86281771

IUPACethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate
SMILESCCOC(=O)CC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C23H22N2O4/c1-4-28-20(26)13-23(17-8-6-5-7-9-17)18-12-16(10-11-19(18)24-22(23)27)21-14(2)25-29-15(21)3/h5-12H,4,13H2,1-3H3,(H,24,27)
InChIKeyVXNKPDWKXIGKIQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.15
Rot. Bonds5

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

ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate (PubChem CID 86281771) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate
PubChem CID86281771
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate
SMILESCCOC(=O)CC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C23H22N2O4/c1-4-28-20(26)13-23(17-8-6-5-7-9-17)18-12-16(10-11-19(18)24-22(23)27)21-14(2)25-29-15(21)3/h5-12H,4,13H2,1-3H3,(H,24,27)
InChIKeyVXNKPDWKXIGKIQ-UHFFFAOYSA-N
XLogP4.15
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate (CID 86281771) is ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate is CCOC(=O)CC1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate?
The InChIKey is VXNKPDWKXIGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-4-28-20(26)13-23(17-8-6-5-7-9-17)18-12-16(10-11-19(18)24-22(23)27)21-14(2)25-29-15(21)3/h5-12H,4,13H2,1-3H3,(H,24,27).
What are the key properties of ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate?
ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate has a molecular weight of 390.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3-phenyl-1H-indol-3-yl]acetate is sourced from PubChem (CID 86281771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).