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

C20H13F2N3O3 — CID 27567898

IUPACN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2F)on1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H13F2N3O3/c21-11-5-6-14(16(22)7-11)18-8-12(25-28-18)9-24-20(27)19(26)15-10-23-17-4-2-1-3-13(15)17/h1-8,10,23H,9H2,(H,24,27)
InChIKeyOOUZXCXLDYBETH-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.60
Rot. Bonds5

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

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 27567898) has the molecular formula C20H13F2N3O3 and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID27567898
Molecular FormulaC20H13F2N3O3
Molecular Weight381.34 g/mol
Exact Mass381.09
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2F)on1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H13F2N3O3/c21-11-5-6-14(16(22)7-11)18-8-12(25-28-18)9-24-20(27)19(26)15-10-23-17-4-2-1-3-13(15)17/h1-8,10,23H,9H2,(H,24,27)
InChIKeyOOUZXCXLDYBETH-UHFFFAOYSA-N
XLogP3.60
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.60
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-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27370104
2-(1H-indol-3-yl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-oxoacetamide
CID 16867077
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide
CID 27567867
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30850480
N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl]-1H-indole-3-carboxamide
CID 45497746
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
N-(furan-3-ylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11630378
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208047
2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
CID 71789720
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 167797599

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 27567898) is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1cc(-c2ccc(F)cc2F)on1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is OOUZXCXLDYBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3/c21-11-5-6-14(16(22)7-11)18-8-12(25-28-18)9-24-20(27)19(26)15-10-23-17-4-2-1-3-13(15)17/h1-8,10,23H,9H2,(H,24,27).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 381.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 27567898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).