N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

C25H20FN3O5 — CID 53122892

IUPACN-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C25H20FN3O5/c1-32-20-11-10-17(13-21(20)33-2)29-25(31)22-23(34-14-27-22)18-8-3-4-9-19(18)24(30)28-16-7-5-6-15(26)12-16/h3-14H,1-2H3,(H,28,30)(H,29,31)
InChIKeyWHJDBPUEHIZVCV-UHFFFAOYSA-N
MW461.45 g/mol
LogP5.00
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122892) has the molecular formula C25H20FN3O5 and a molecular weight of 461.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122892
Molecular FormulaC25H20FN3O5
Molecular Weight461.45 g/mol
Exact Mass461.14
IUPAC NameN-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C25H20FN3O5/c1-32-20-11-10-17(13-21(20)33-2)29-25(31)22-23(34-14-27-22)18-8-3-4-9-19(18)24(30)28-16-7-5-6-15(26)12-16/h3-14H,1-2H3,(H,28,30)(H,29,31)
InChIKeyWHJDBPUEHIZVCV-UHFFFAOYSA-N
XLogP5.00
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109222036
N-(2-carbamoylphenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 175655098
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 6489736
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963825
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
methyl 3-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]benzoate
CID 110689290

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 53122892) is N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WHJDBPUEHIZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5/c1-32-20-11-10-17(13-21(20)33-2)29-25(31)22-23(34-14-27-22)18-8-3-4-9-19(18)24(30)28-16-7-5-6-15(26)12-16/h3-14H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).