butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate

C27H23FN2O4 — CID 100506456

IUPACbutyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C27H23FN2O4/c1-2-3-16-33-27(32)19-10-14-21(15-11-19)30-25(31)22-6-4-5-7-23(22)26-29-17-24(34-26)18-8-12-20(28)13-9-18/h4-15,17H,2-3,16H2,1H3,(H,30,31)
InChIKeyZUXSRCLMZOYHIS-UHFFFAOYSA-N
MW458.49 g/mol
LogP6.36
Rot. Bonds8

About butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate

butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate (PubChem CID 100506456) has the molecular formula C27H23FN2O4 and a molecular weight of 458.49 g/mol. Its IUPAC name is butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
PubChem CID100506456
Molecular FormulaC27H23FN2O4
Molecular Weight458.49 g/mol
Exact Mass458.16
IUPAC Namebutyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C27H23FN2O4/c1-2-3-16-33-27(32)19-10-14-21(15-11-19)30-25(31)22-6-4-5-7-23(22)26-29-17-24(34-26)18-8-12-20(28)13-9-18/h4-15,17H,2-3,16H2,1H3,(H,30,31)
InChIKeyZUXSRCLMZOYHIS-UHFFFAOYSA-N
XLogP6.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
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 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
butyl 4-[[5-(4-fluorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16650910
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
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
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate (CID 100506456) is butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
The InChIKey is ZUXSRCLMZOYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O4/c1-2-3-16-33-27(32)19-10-14-21(15-11-19)30-25(31)22-6-4-5-7-23(22)26-29-17-24(34-26)18-8-12-20(28)13-9-18/h4-15,17H,2-3,16H2,1H3,(H,30,31).
What are the key properties of butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate?
butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate has a molecular weight of 458.49 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate is sourced from PubChem (CID 100506456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).