methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate

C10H17N3O3 — CID 103952281

IUPACmethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1noc(C)n1
InChIInChI=1S/C10H17N3O3/c1-7(6-10(14)15-3)11-5-4-9-12-8(2)16-13-9/h7,11H,4-6H2,1-3H3
InChIKeyCFIYCHGSULWKHJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.46
Rot. Bonds6

About methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate

methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate (PubChem CID 103952281) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
PubChem CID103952281
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1noc(C)n1
InChIInChI=1S/C10H17N3O3/c1-7(6-10(14)15-3)11-5-4-9-12-8(2)16-13-9/h7,11H,4-6H2,1-3H3
InChIKeyCFIYCHGSULWKHJ-UHFFFAOYSA-N
XLogP0.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400593
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 103931604
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572
methyl 2-bromo-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106419608
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 106416090
2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
1-(2-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931481
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 130009449

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
The IUPAC name of methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate (CID 103952281) is methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
The canonical SMILES for methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate is COC(=O)CC(C)NCCc1noc(C)n1.
What is the InChIKey of methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
The InChIKey is CFIYCHGSULWKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(6-10(14)15-3)11-5-4-9-12-8(2)16-13-9/h7,11H,4-6H2,1-3H3.
What are the key properties of methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate has a molecular weight of 227.26 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate is sourced from PubChem (CID 103952281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).