ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate

C11H19N3O3 — CID 166109898

IUPACethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc([C@@H](N)C(C)(C)C)o1
InChIInChI=1S/C11H19N3O3/c1-5-16-8(15)6-7-13-14-10(17-7)9(12)11(2,3)4/h9H,5-6,12H2,1-4H3/t9-/m1/s1
InChIKeyYTGQIMFDEWJRKG-SECBINFHSA-N
MW241.29 g/mol
LogP1.22
Rot. Bonds4

About ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate

ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 166109898) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate
PubChem CID166109898
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc([C@@H](N)C(C)(C)C)o1
InChIInChI=1S/C11H19N3O3/c1-5-16-8(15)6-7-13-14-10(17-7)9(12)11(2,3)4/h9H,5-6,12H2,1-4H3/t9-/m1/s1
InChIKeyYTGQIMFDEWJRKG-SECBINFHSA-N
XLogP1.22
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate (CID 166109898) is ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate is CCOC(=O)Cc1nnc([C@@H](N)C(C)(C)C)o1.
What is the InChIKey of ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is YTGQIMFDEWJRKG-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-16-8(15)6-7-13-14-10(17-7)9(12)11(2,3)4/h9H,5-6,12H2,1-4H3/t9-/m1/s1.
What are the key properties of ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate?
ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 241.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 166109898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).