2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide

C21H18ClN3O3 — CID 110619938

IUPAC2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)Cc3cc(-c4ccc(Cl)cc4)on3)cc21
InChIInChI=1S/C21H18ClN3O3/c1-21(2)16-9-14(7-8-17(16)24-20(21)27)23-19(26)11-15-10-18(28-25-15)12-3-5-13(22)6-4-12/h3-10H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDWUUOPPHIJBKMY-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.41
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (PubChem CID 110619938) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
PubChem CID110619938
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)Cc3cc(-c4ccc(Cl)cc4)on3)cc21
InChIInChI=1S/C21H18ClN3O3/c1-21(2)16-9-14(7-8-17(16)24-20(21)27)23-19(26)11-15-10-18(28-25-15)12-3-5-13(22)6-4-12/h3-10H,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDWUUOPPHIJBKMY-UHFFFAOYSA-N
XLogP4.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110612894
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16878662
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 110313457
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
CID 110405726
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110426122
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110770980
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357114
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 16878709

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (CID 110619938) is 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is CC1(C)C(=O)Nc2ccc(NC(=O)Cc3cc(-c4ccc(Cl)cc4)on3)cc21.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The InChIKey is DWUUOPPHIJBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-21(2)16-9-14(7-8-17(16)24-20(21)27)23-19(26)11-15-10-18(28-25-15)12-3-5-13(22)6-4-12/h3-10H,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide has a molecular weight of 395.85 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is sourced from PubChem (CID 110619938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).