methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate

C24H22N2O3 — CID 171987739

IUPACmethyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-28-24(27)21(17-18-11-5-2-6-12-18)26-22(19-13-7-3-8-14-19)25-29-23(26)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3
InChIKeyMSNBPZNAFHGONQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.16
Rot. Bonds6

About methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate

methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate (PubChem CID 171987739) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate
PubChem CID171987739
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-28-24(27)21(17-18-11-5-2-6-12-18)26-22(19-13-7-3-8-14-19)25-29-23(26)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3
InChIKeyMSNBPZNAFHGONQ-UHFFFAOYSA-N
XLogP4.16
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate?
The IUPAC name of methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate (CID 171987739) is methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate.
What is the SMILES notation for methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate?
The canonical SMILES for methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)N1C(c2ccccc2)=NOC1c1ccccc1.
What is the InChIKey of methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate?
The InChIKey is MSNBPZNAFHGONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-24(27)21(17-18-11-5-2-6-12-18)26-22(19-13-7-3-8-14-19)25-29-23(26)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3.
What are the key properties of methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate?
methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate has a molecular weight of 386.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)-3-phenylpropanoate is sourced from PubChem (CID 171987739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).