2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide

C25H20FN3O4 — CID 38329843

IUPAC2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C25H20FN3O4/c1-32-15-23(30)28-18-10-12-19(13-11-18)29-24(31)20-4-2-3-5-21(20)25-27-14-22(33-25)16-6-8-17(26)9-7-16/h2-14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyWTDUHQPZDGDTEA-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.98
Rot. Bonds7

About 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide (PubChem CID 38329843) has the molecular formula C25H20FN3O4 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
PubChem CID38329843
Molecular FormulaC25H20FN3O4
Molecular Weight445.45 g/mol
Exact Mass445.14
IUPAC Name2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C25H20FN3O4/c1-32-15-23(30)28-18-10-12-19(13-11-18)29-24(31)20-4-2-3-5-21(20)25-27-14-22(33-25)16-6-8-17(26)9-7-16/h2-14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyWTDUHQPZDGDTEA-UHFFFAOYSA-N
XLogP4.98
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100506456
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 100509537
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide (CID 38329843) is 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide is COCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
The InChIKey is WTDUHQPZDGDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4/c1-32-15-23(30)28-18-10-12-19(13-11-18)29-24(31)20-4-2-3-5-21(20)25-27-14-22(33-25)16-6-8-17(26)9-7-16/h2-14H,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide?
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide has a molecular weight of 445.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 38329843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).