(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

C18H14Cl2N2O3 — CID 4855284

IUPAC(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccccc2)no1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c19-14-7-4-8-15(20)13(14)11-24-17(23)10-9-16-21-18(22-25-16)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyJWMZDVFYEYWHEF-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.72
Rot. Bonds6

About (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate

(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 4855284) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID4855284
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(-c2ccccc2)no1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c19-14-7-4-8-15(20)13(14)11-24-17(23)10-9-16-21-18(22-25-16)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyJWMZDVFYEYWHEF-UHFFFAOYSA-N
XLogP4.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46608891
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)propanoate
CID 134031490
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(2-chlorophenyl)propanoate
CID 71900087
[2-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34420566
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
[3-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46627562
methyl 2-[(2-chlorophenyl)methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetate
CID 47049018
(4-cyanophenyl)methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665874
3-[3-[3-[5-(2-carboxyethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 102054948
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3,4-dichlorobenzoate
CID 7864870
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate (CID 4855284) is (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is O=C(CCc1nc(-c2ccccc2)no1)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is JWMZDVFYEYWHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c19-14-7-4-8-15(20)13(14)11-24-17(23)10-9-16-21-18(22-25-16)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate?
(2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 377.23 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 4855284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).