ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate

C10H16N2O4 — CID 165485135

IUPACethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)CCOC)n1
InChIInChI=1S/C10H16N2O4/c1-4-15-10(13)8-11-9(16-12-8)7(2)5-6-14-3/h7H,4-6H2,1-3H3
InChIKeyHZGNDARCVNZSAD-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.39
Rot. Bonds6

About ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 165485135) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID165485135
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)CCOC)n1
InChIInChI=1S/C10H16N2O4/c1-4-15-10(13)8-11-9(16-12-8)7(2)5-6-14-3/h7H,4-6H2,1-3H3
InChIKeyHZGNDARCVNZSAD-UHFFFAOYSA-N
XLogP1.39
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(1-amino-2-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631682
ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107837243
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
ethyl 5-[(1R)-1-amino-2,2-dimethylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104899651
ethyl 5-[(1S)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104909596
ethyl 5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,2,4-oxadiazole-3-carboxylate
CID 104909597
ethyl 5-(1-aminobut-3-enyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631677
ethyl 5-[(S)-amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 104898772
5-hexan-2-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 165484826
ethyl 5-pyridin-4-yl-1,2,4-oxadiazole-3-carboxylate
CID 19959194

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate (CID 165485135) is ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C(C)CCOC)n1.
What is the InChIKey of ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is HZGNDARCVNZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-15-10(13)8-11-9(16-12-8)7(2)5-6-14-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxybutan-2-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 165485135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).