ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate

C10H19N3O3 — CID 18508048

IUPACethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate
SMILESCCOC(=O)C1=CON(C(N)CC(C)C)N1
InChIInChI=1S/C10H19N3O3/c1-4-15-10(14)8-6-16-13(12-8)9(11)5-7(2)3/h6-7,9,12H,4-5,11H2,1-3H3
InChIKeyFHNYUMDEIMEKQC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.47
Rot. Bonds5

About ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate

ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate (PubChem CID 18508048) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate
PubChem CID18508048
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate
SMILESCCOC(=O)C1=CON(C(N)CC(C)C)N1
InChIInChI=1S/C10H19N3O3/c1-4-15-10(14)8-6-16-13(12-8)9(11)5-7(2)3/h6-7,9,12H,4-5,11H2,1-3H3
InChIKeyFHNYUMDEIMEKQC-UHFFFAOYSA-N
XLogP0.47
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate (CID 18508048) is ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate is CCOC(=O)C1=CON(C(N)CC(C)C)N1.
What is the InChIKey of ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate?
The InChIKey is FHNYUMDEIMEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-15-10(14)8-6-16-13(12-8)9(11)5-7(2)3/h6-7,9,12H,4-5,11H2,1-3H3.
What are the key properties of ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate?
ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate is sourced from PubChem (CID 18508048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).