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

C19H15FN2O4 — CID 30850506

IUPACmethyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccccc3F)on2)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-19(24)12-6-8-13(9-7-12)21-18(23)11-14-10-17(26-22-14)15-4-2-3-5-16(15)20/h2-10H,11H2,1H3,(H,21,23)
InChIKeyDUFGFCQTAARENV-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.45
Rot. Bonds5

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

methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (PubChem CID 30850506) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
PubChem CID30850506
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namemethyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccccc3F)on2)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-19(24)12-6-8-13(9-7-12)21-18(23)11-14-10-17(26-22-14)15-4-2-3-5-16(15)20/h2-10H,11H2,1H3,(H,21,23)
InChIKeyDUFGFCQTAARENV-UHFFFAOYSA-N
XLogP3.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-3-isoxazolyl)methyl N-(4-methylphenyl)carbamate
CID 1481096
N-(2,4-Difluoro-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 18955387
N-(2,4-Difluoro-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 18955388
N-(((S)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 476960
2-(1,2-benzisoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 1235351
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide
CID 5308704
Methyl 2-[2-(5-methyl-1,2-benzoxazol-3-YL)acetamido]benzoate
CID 16017679
N-(2,5-difluorophenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 16017715
Ethyl 4-(4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-ylcarbonylamino)benzoate
CID 16023570
N-phenyl-2-(5-phenylisoxazol-3-yl)acetamide
CID 16878309
N-(2-methylphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878310
N-(3-methylphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878311

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (CID 30850506) is methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2cc(-c3ccccc3F)on2)cc1.
What is the InChIKey of methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The InChIKey is DUFGFCQTAARENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-25-19(24)12-6-8-13(9-7-12)21-18(23)11-14-10-17(26-22-14)15-4-2-3-5-16(15)20/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
methyl 4-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate has a molecular weight of 354.34 g/mol, XLogP of 3.45, 5 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)-1,2-oxazol-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 30850506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).