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

C24H19ClN2O3 — CID 16528018

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
SMILESO=C(CC(c1ccccc1)c1ccccc1)OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H19ClN2O3/c25-20-13-11-19(12-14-20)24-27-26-22(30-24)16-29-23(28)15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2
InChIKeyUHCUGJJSZCVMGZ-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.66
Rot. Bonds7

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

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate (PubChem CID 16528018) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
PubChem CID16528018
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
SMILESO=C(CC(c1ccccc1)c1ccccc1)OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H19ClN2O3/c25-20-13-11-19(12-14-20)24-27-26-22(30-24)16-29-23(28)15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2
InChIKeyUHCUGJJSZCVMGZ-UHFFFAOYSA-N
XLogP5.66
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 9139620
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951211
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methylphenoxy)acetate
CID 8704769
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylbenzoate
CID 8891104
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-phenylsulfanylpropanoate
CID 78760954
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926274
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022253
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55480931
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321964
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510820
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate (CID 16528018) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate is O=C(CC(c1ccccc1)c1ccccc1)OCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate?
The InChIKey is UHCUGJJSZCVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c25-20-13-11-19(12-14-20)24-27-26-22(30-24)16-29-23(28)15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate has a molecular weight of 418.88 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate is sourced from PubChem (CID 16528018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).