N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide

C21H18ClN3O3 — CID 110313457

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)Cc3cc(-c4ccc(Cl)cc4)on3)cc21
InChIInChI=1S/C21H18ClN3O3/c1-13(26)25-9-8-14-4-7-17(10-19(14)25)23-21(27)12-18-11-20(28-24-18)15-2-5-16(22)6-3-15/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)
InChIKeyYGBDHWJLHPEZLB-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.09
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 110313457) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID110313457
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
SMILESCC(=O)N1CCc2ccc(NC(=O)Cc3cc(-c4ccc(Cl)cc4)on3)cc21
InChIInChI=1S/C21H18ClN3O3/c1-13(26)25-9-8-14-4-7-17(10-19(14)25)23-21(27)12-18-11-20(28-24-18)15-2-5-16(22)6-3-15/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)
InChIKeyYGBDHWJLHPEZLB-UHFFFAOYSA-N
XLogP4.09
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313010
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16878662
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110619938
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878729
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110627232
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35805869
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
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 N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide (CID 110313457) is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide is CC(=O)N1CCc2ccc(NC(=O)Cc3cc(-c4ccc(Cl)cc4)on3)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is YGBDHWJLHPEZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(26)25-9-8-14-4-7-17(10-19(14)25)23-21(27)12-18-11-20(28-24-18)15-2-5-16(22)6-3-15/h2-7,10-11H,8-9,12H2,1H3,(H,23,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 395.85 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 110313457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).