[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate

C13H14N2O4 — CID 94942769

IUPAC[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate
SMILESCc1nnc([C@@H](C)OC(=O)Cc2cccc(O)c2)o1
InChIInChI=1S/C13H14N2O4/c1-8(13-15-14-9(2)19-13)18-12(17)7-10-4-3-5-11(16)6-10/h3-6,8,16H,7H2,1-2H3/t8-/m1/s1
InChIKeyIRCNZHDMUDNSGR-MRVPVSSYSA-N
MW262.27 g/mol
LogP1.93
Rot. Bonds4

About [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate

[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate (PubChem CID 94942769) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate
PubChem CID94942769
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate
SMILESCc1nnc([C@@H](C)OC(=O)Cc2cccc(O)c2)o1
InChIInChI=1S/C13H14N2O4/c1-8(13-15-14-9(2)19-13)18-12(17)7-10-4-3-5-11(16)6-10/h3-6,8,16H,7H2,1-2H3/t8-/m1/s1
InChIKeyIRCNZHDMUDNSGR-MRVPVSSYSA-N
XLogP1.93
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7629196
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
CID 55459291
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201074
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate
CID 49099061
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-bromo-4-chlorobenzoate
CID 86779255
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate
CID 166200710
[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 3-methyl-2-oxo-1,3-benzoxazole-7-carboxylate
CID 97327760
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7630670
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(trifluoromethyl)benzoate
CID 75513033
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-phenylacetate
CID 55553350

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate?
The IUPAC name of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate (CID 94942769) is [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate.
What is the SMILES notation for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate?
The canonical SMILES for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate is Cc1nnc([C@@H](C)OC(=O)Cc2cccc(O)c2)o1.
What is the InChIKey of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate?
The InChIKey is IRCNZHDMUDNSGR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(13-15-14-9(2)19-13)18-12(17)7-10-4-3-5-11(16)6-10/h3-6,8,16H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate?
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate has a molecular weight of 262.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3-hydroxyphenyl)acetate is sourced from PubChem (CID 94942769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).