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

C21H19FN2O4 — CID 36654951

IUPACmethyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H19FN2O4/c1-27-19(25)11-6-12-23-20(26)14-7-2-3-8-15(14)21-24-13-18(28-21)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,26)
InChIKeyUFMAQYKXDDBCSJ-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.83
Rot. Bonds7

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

methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate (PubChem CID 36654951) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
PubChem CID36654951
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Namemethyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H19FN2O4/c1-27-19(25)11-6-12-23-20(26)14-7-2-3-8-15(14)21-24-13-18(28-21)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,26)
InChIKeyUFMAQYKXDDBCSJ-UHFFFAOYSA-N
XLogP3.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.83
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

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36807682
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 36744321
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36704068
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N'-(2-hydroxybenzoyl)benzohydrazide
CID 36762830
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N-(2-fluoro-4-methylphenyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 55554036
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate (CID 36654951) is methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate is COC(=O)CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate?
The InChIKey is UFMAQYKXDDBCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-27-19(25)11-6-12-23-20(26)14-7-2-3-8-15(14)21-24-13-18(28-21)16-9-4-5-10-17(16)22/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,26).
What are the key properties of methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate?
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate has a molecular weight of 382.39 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate is sourced from PubChem (CID 36654951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).