(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C20H18N2O4 — CID 7580840

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESO=C(COc1ccc2c(c1)CCC2)OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N2O4/c23-19(13-24-17-10-9-14-7-4-8-16(14)11-17)25-12-18-21-20(22-26-18)15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12-13H2
InChIKeyMOTPLIXMLFYBIU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.35
Rot. Bonds6

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7580840) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7580840
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESO=C(COc1ccc2c(c1)CCC2)OCc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18N2O4/c23-19(13-24-17-10-9-14-7-4-8-16(14)11-17)25-12-18-21-20(22-26-18)15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12-13H2
InChIKeyMOTPLIXMLFYBIU-UHFFFAOYSA-N
XLogP3.35
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18271341
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 126805827
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18226940
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 40755686
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 22830575
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528002
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate
CID 8522826
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 8521021
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 2-naphthalen-2-yloxyacetate
CID 46810370
[2-(N-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 2613978

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7580840) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is O=C(COc1ccc2c(c1)CCC2)OCc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is MOTPLIXMLFYBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(13-24-17-10-9-14-7-4-8-16(14)11-17)25-12-18-21-20(22-26-18)15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12-13H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 350.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7580840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).