(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate

C19H18N2O4 — CID 2108229

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H18N2O4/c1-13-8-14(2)10-16(9-13)23-12-18(22)24-11-17-20-21-19(25-17)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3
InChIKeyYTVBZLGELODORH-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.48
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate (PubChem CID 2108229) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
PubChem CID2108229
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H18N2O4/c1-13-8-14(2)10-16(9-13)23-12-18(22)24-11-17-20-21-19(25-17)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3
InChIKeyYTVBZLGELODORH-UHFFFAOYSA-N
XLogP3.48
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(4-Fluoro-phenyl)-5-m-tolyloxymethyl-[1,3,4]oxadiazole
CID 671988
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl benzoate
CID 5178828
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 6460267
2-(3-Methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 712392
[4-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-phenoxy]-acetic acid ethyl ester
CID 647355
Ethyl 5-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxy}methyl)-2-furoate
CID 1286715
2-(4-Bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
CID 2080384
(5-Phenyl-1,3,4-oxadiazol-2-YL)methyl 2-furoate
CID 2081182
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2089454
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2092000
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methylfuran-2-carboxylate
CID 2099054

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate (CID 2108229) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is YTVBZLGELODORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-8-14(2)10-16(9-13)23-12-18(22)24-11-17-20-21-19(25-17)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 338.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 2108229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).