[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate

C18H14FN3O4 — CID 47571605

IUPAC[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate
SMILESCC(=O)Nc1ccc(F)c(C(=O)Oc2ccc(-c3noc(C)n3)cc2)c1
InChIInChI=1S/C18H14FN3O4/c1-10(23)20-13-5-8-16(19)15(9-13)18(24)25-14-6-3-12(4-7-14)17-21-11(2)26-22-17/h3-9H,1-2H3,(H,20,23)
InChIKeyBDFCDJIKSKISKT-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.36
Rot. Bonds4

About [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate

[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate (PubChem CID 47571605) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate.

Molecular Properties

Compound Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate
PubChem CID47571605
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate
SMILESCC(=O)Nc1ccc(F)c(C(=O)Oc2ccc(-c3noc(C)n3)cc2)c1
InChIInChI=1S/C18H14FN3O4/c1-10(23)20-13-5-8-16(19)15(9-13)18(24)25-14-6-3-12(4-7-14)17-21-11(2)26-22-17/h3-9H,1-2H3,(H,20,23)
InChIKeyBDFCDJIKSKISKT-UHFFFAOYSA-N
XLogP3.36
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
1-(3,4-difluorophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778209
[4-(4-cyanophenyl)phenyl] 5-acetamido-2-fluorobenzoate
CID 60564307
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-(5-chloro-2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51323285
(2,3,6-trimethylphenyl) 5-acetamido-2-fluorobenzoate
CID 60564471
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40804812
dimethyl 5-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55390871
1-(4-bromophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361356

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate?
The IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate (CID 47571605) is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate.
What is the SMILES notation for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate?
The canonical SMILES for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate is CC(=O)Nc1ccc(F)c(C(=O)Oc2ccc(-c3noc(C)n3)cc2)c1.
What is the InChIKey of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate?
The InChIKey is BDFCDJIKSKISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-10(23)20-13-5-8-16(19)15(9-13)18(24)25-14-6-3-12(4-7-14)17-21-11(2)26-22-17/h3-9H,1-2H3,(H,20,23).
What are the key properties of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate?
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate has a molecular weight of 355.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate is sourced from PubChem (CID 47571605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).