methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate

C18H13FN2O4 — CID 3571866

IUPACmethyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C18H13FN2O4/c1-24-18(23)13-4-2-3-5-14(13)20-17(22)15-10-16(25-21-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22)
InChIKeyPPIAISOIUYKTCK-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate

methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate (PubChem CID 3571866) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
PubChem CID3571866
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Namemethyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C18H13FN2O4/c1-24-18(23)13-4-2-3-5-14(13)20-17(22)15-10-16(25-21-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22)
InChIKeyPPIAISOIUYKTCK-UHFFFAOYSA-N
XLogP3.52
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]benzoate
CID 17096031
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406237
methyl 2-[[2-(4-fluoroanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109336865
dimethyl 5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55445915
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4519031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate (CID 3571866) is methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate?
The InChIKey is PPIAISOIUYKTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c1-24-18(23)13-4-2-3-5-14(13)20-17(22)15-10-16(25-21-15)11-6-8-12(19)9-7-11/h2-10H,1H3,(H,20,22).
What are the key properties of methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate?
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate has a molecular weight of 340.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 3571866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).