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

C20H14FN3O3 — CID 27370104

IUPACN-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cc(-c2ccccc2F)on1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14FN3O3/c21-16-7-3-1-6-14(16)18-9-12(24-27-18)10-23-20(26)19(25)15-11-22-17-8-4-2-5-13(15)17/h1-9,11,22H,10H2,(H,23,26)
InChIKeyQOGNPAIYCCOSPX-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.46
Rot. Bonds5

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

N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 27370104) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID27370104
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC NameN-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cc(-c2ccccc2F)on1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14FN3O3/c21-16-7-3-1-6-14(16)18-9-12(24-27-18)10-23-20(26)19(25)15-11-22-17-8-4-2-5-13(15)17/h1-9,11,22H,10H2,(H,23,26)
InChIKeyQOGNPAIYCCOSPX-UHFFFAOYSA-N
XLogP3.46
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27567898
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
CID 16867077
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
CID 71789720
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
CID 45497746
N-(furan-3-ylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11630378
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 27370099
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 16869514
N-[[1-[4-(4-ethylphenyl)phenyl]triazol-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 171357197
3-(1H-indol-3-yl)-2-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoylamino]propanoic acid
CID 45332027

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 27370104) is N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1cc(-c2ccccc2F)on1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is QOGNPAIYCCOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-16-7-3-1-6-14(16)18-9-12(24-27-18)10-23-20(26)19(25)15-11-22-17-8-4-2-5-13(15)17/h1-9,11,22H,10H2,(H,23,26).
What are the key properties of N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 363.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 27370104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).