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

C13H14N2O3 — CID 44605722

IUPAC[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C13H14N2O3/c1-8-5-4-6-11(7-8)13-14-12(15-18-13)9(2)17-10(3)16/h4-7,9H,1-3H3/t9-/m1/s1
InChIKeyXNNAZRUHTJEWEM-SECBINFHSA-N
MW246.27 g/mol
LogP2.67
Rot. Bonds3

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

[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate (PubChem CID 44605722) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
PubChem CID44605722
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C13H14N2O3/c1-8-5-4-6-11(7-8)13-14-12(15-18-13)9(2)17-10(3)16/h4-7,9H,1-3H3/t9-/m1/s1
InChIKeyXNNAZRUHTJEWEM-SECBINFHSA-N
XLogP2.67
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 84695450
[(1R)-1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate
CID 44605909
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62651517
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
(2S)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]propanoic acid
CID 104875900
1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl acetate
CID 138963409
N',N'-diethyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635435
3-acetyloxypropyl 3-[5-[3-[3-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 170523906
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate (CID 44605722) is [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate is CC(=O)O[C@H](C)c1noc(-c2cccc(C)c2)n1.
What is the InChIKey of [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
The InChIKey is XNNAZRUHTJEWEM-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-5-4-6-11(7-8)13-14-12(15-18-13)9(2)17-10(3)16/h4-7,9H,1-3H3/t9-/m1/s1.
What are the key properties of [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate?
[(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate has a molecular weight of 246.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl] acetate is sourced from PubChem (CID 44605722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).