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

C15H19N3O3 — CID 99836598

IUPACmethyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate
SMILESCCc1noc([C@@H](C)Nc2cccc(CC(=O)OC)c2)n1
InChIInChI=1S/C15H19N3O3/c1-4-13-17-15(21-18-13)10(2)16-12-7-5-6-11(8-12)9-14(19)20-3/h5-8,10,16H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyXGMGZGUVYBVTCK-SNVBAGLBSA-N
MW289.34 g/mol
LogP2.52
Rot. Bonds6

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

methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate (PubChem CID 99836598) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate
PubChem CID99836598
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate
SMILESCCc1noc([C@@H](C)Nc2cccc(CC(=O)OC)c2)n1
InChIInChI=1S/C15H19N3O3/c1-4-13-17-15(21-18-13)10(2)16-12-7-5-6-11(8-12)9-14(19)20-3/h5-8,10,16H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyXGMGZGUVYBVTCK-SNVBAGLBSA-N
XLogP2.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate (CID 99836598) is methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate is CCc1noc([C@@H](C)Nc2cccc(CC(=O)OC)c2)n1.
What is the InChIKey of methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate?
The InChIKey is XGMGZGUVYBVTCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-13-17-15(21-18-13)10(2)16-12-7-5-6-11(8-12)9-14(19)20-3/h5-8,10,16H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate?
methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate has a molecular weight of 289.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate is sourced from PubChem (CID 99836598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).