2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide

C28H22N4O3 — CID 59224742

IUPAC2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide
SMILESCN1Cc2ccc(-c3cc4ccccn4c3C(=O)C(=O)Nc3ccc(-c4ncco4)cc3)cc2C1
InChIInChI=1S/C28H22N4O3/c1-31-16-20-6-5-19(14-21(20)17-31)24-15-23-4-2-3-12-32(23)25(24)26(33)27(34)30-22-9-7-18(8-10-22)28-29-11-13-35-28/h2-15H,16-17H2,1H3,(H,30,34)
InChIKeyVRHUKEHSRDBXLP-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.03
Rot. Bonds5

About 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide

2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide (PubChem CID 59224742) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide
PubChem CID59224742
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide
SMILESCN1Cc2ccc(-c3cc4ccccn4c3C(=O)C(=O)Nc3ccc(-c4ncco4)cc3)cc2C1
InChIInChI=1S/C28H22N4O3/c1-31-16-20-6-5-19(14-21(20)17-31)24-15-23-4-2-3-12-32(23)25(24)26(33)27(34)30-22-9-7-18(8-10-22)28-29-11-13-35-28/h2-15H,16-17H2,1H3,(H,30,34)
InChIKeyVRHUKEHSRDBXLP-UHFFFAOYSA-N
XLogP5.03
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide (CID 59224742) is 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide is CN1Cc2ccc(-c3cc4ccccn4c3C(=O)C(=O)Nc3ccc(-c4ncco4)cc3)cc2C1.
What is the InChIKey of 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide?
The InChIKey is VRHUKEHSRDBXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3/c1-31-16-20-6-5-19(14-21(20)17-31)24-15-23-4-2-3-12-32(23)25(24)26(33)27(34)30-22-9-7-18(8-10-22)28-29-11-13-35-28/h2-15H,16-17H2,1H3,(H,30,34).
What are the key properties of 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide?
2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide has a molecular weight of 462.51 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 59224742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).