methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate

C18H16N2O4 — CID 91991140

IUPACmethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16N2O4/c1-22-17(21)11-14-9-5-6-10-15(14)23-12-16-19-18(20-24-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyJJKXZFZDNCCOHE-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.03
Rot. Bonds6

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

methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate (PubChem CID 91991140) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
PubChem CID91991140
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16N2O4/c1-22-17(21)11-14-9-5-6-10-15(14)23-12-16-19-18(20-24-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyJJKXZFZDNCCOHE-UHFFFAOYSA-N
XLogP3.03
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-methoxyphenyl)acetate
CID 51047370
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
N-cyclopropyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56883843
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate (CID 91991140) is methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate is COC(=O)Cc1ccccc1OCc1nc(-c2ccccc2)no1.
What is the InChIKey of methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate?
The InChIKey is JJKXZFZDNCCOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-17(21)11-14-9-5-6-10-15(14)23-12-16-19-18(20-24-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate?
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate has a molecular weight of 324.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 91991140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).