2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

C21H16ClN3O3 — CID 5147162

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)no1
InChIInChI=1S/C21H16ClN3O3/c1-13-10-19(24-28-13)23-21(27)20(26)17-12-25(18-5-3-2-4-16(17)18)11-14-6-8-15(22)9-7-14/h2-10,12H,11H2,1H3,(H,23,24,27)
InChIKeyLVHJQTPEHXMAJG-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.46
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 5147162) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID5147162
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)no1
InChIInChI=1S/C21H16ClN3O3/c1-13-10-19(24-28-13)23-21(27)20(26)17-12-25(18-5-3-2-4-16(17)18)11-14-6-8-15(22)9-7-14/h2-10,12H,11H2,1H3,(H,23,24,27)
InChIKeyLVHJQTPEHXMAJG-UHFFFAOYSA-N
XLogP4.46
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylindol-3-yl)-N-(5-methylisoxazol-3-yl)-2-oxoacetamide
CID 4918879
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-3-yl)-2-oxoacetamide
CID 10156594
6-[[2-[1-[(4-Chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 10181259
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-oxazol-5-yl)-2-oxoacetamide
CID 23397126
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2-oxazol-5-yl)-2-oxoacetamide
CID 23397134
2-(6-chloro-1-methylindol-3-yl)-2-oxo-N-(4-pyrrol-1-ylphenyl)acetamide
CID 49835113
2-(2-methyl-1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 4916611
8-chloro-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 2220993
4-chloro-N-[2-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3575228
2-cyclohexyl-9-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 5308858
1-ethyl-2,3-dimethyl-N-(1,2-oxazol-3-yl)indole-5-carboxamide
CID 35523391
(3S,4R)-3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 53247319

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 5147162) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)no1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is LVHJQTPEHXMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-13-10-19(24-28-13)23-21(27)20(26)17-12-25(18-5-3-2-4-16(17)18)11-14-6-8-15(22)9-7-14/h2-10,12H,11H2,1H3,(H,23,24,27).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 393.83 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 5147162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).