ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate

C10H17N3O3 — CID 112631655

IUPACethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCNC(C)(C)c1nc(C(=O)OCC)no1
InChIInChI=1S/C10H17N3O3/c1-5-11-10(3,4)9-12-7(13-16-9)8(14)15-6-2/h11H,5-6H2,1-4H3
InChIKeyXZAVGYMOKQIOGC-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.09
Rot. Bonds5

About ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 112631655) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID112631655
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nameethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCNC(C)(C)c1nc(C(=O)OCC)no1
InChIInChI=1S/C10H17N3O3/c1-5-11-10(3,4)9-12-7(13-16-9)8(14)15-6-2/h11H,5-6H2,1-4H3
InChIKeyXZAVGYMOKQIOGC-UHFFFAOYSA-N
XLogP1.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,2,4-oxadiazole-3-carboxylate
CID 102283407
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
ethyl 5-[(1R)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104899651
ethyl 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379501
ethyl 5-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631682
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 64539204
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791094
ethyl 5-(propylaminomethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631652
ethyl 5-(1,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 165485295
ethyl 5-(1-aminobutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631699
ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379498
ethyl 5-[(1S)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazole-3-carboxylate
CID 104915929

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate (CID 112631655) is ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate is CCNC(C)(C)c1nc(C(=O)OCC)no1.
What is the InChIKey of ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is XZAVGYMOKQIOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-11-10(3,4)9-12-7(13-16-9)8(14)15-6-2/h11H,5-6H2,1-4H3.
What are the key properties of ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(ethylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 112631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).