[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate

C19H14ClFN2O4 — CID 78760380

IUPAC[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)OCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H14ClFN2O4/c20-15-4-2-1-3-14(15)19-23-22-17(27-19)11-26-18(25)10-9-16(24)12-5-7-13(21)8-6-12/h1-8H,9-11H2
InChIKeyBFZJJIVEHBQNKM-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.24
Rot. Bonds7

About [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 78760380) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID78760380
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)OCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H14ClFN2O4/c20-15-4-2-1-3-14(15)19-23-22-17(27-19)11-26-18(25)10-9-16(24)12-5-7-13(21)8-6-12/h1-8H,9-11H2
InChIKeyBFZJJIVEHBQNKM-UHFFFAOYSA-N
XLogP4.24
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
CID 78761992
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl hexanoate
CID 78759935
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-dimethylbutanoate
CID 78760319
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 78860670
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967630
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
CID 78760443
(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 41209311
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-methylphenyl)-4-oxobutanoate
CID 29396460

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate (CID 78760380) is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate is O=C(CCC(=O)c1ccc(F)cc1)OCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is BFZJJIVEHBQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c20-15-4-2-1-3-14(15)19-23-22-17(27-19)11-26-18(25)10-9-16(24)12-5-7-13(21)8-6-12/h1-8H,9-11H2.
What are the key properties of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate?
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 388.78 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 78760380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).