methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate

C7H11N3O3 — CID 106659578

IUPACmethyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(C)no1
InChIInChI=1S/C7H11N3O3/c1-5-9-7(13-10-5)8-4-3-6(11)12-2/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyXGNKCIMPWAHZNI-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.35
Rot. Bonds4

About methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate

methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate (PubChem CID 106659578) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
PubChem CID106659578
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Namemethyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(C)no1
InChIInChI=1S/C7H11N3O3/c1-5-9-7(13-10-5)8-4-3-6(11)12-2/h3-4H2,1-2H3,(H,8,9,10)
InChIKeyXGNKCIMPWAHZNI-UHFFFAOYSA-N
XLogP0.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
CID 106659899
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanesulfonamide
CID 106659561
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 130167629
N-cyclopropyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 106659565
3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 106659811
1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
CID 102677492
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
CID 30898964
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate?
The IUPAC name of methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate (CID 106659578) is methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate is COC(=O)CCNc1nc(C)no1.
What is the InChIKey of methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate?
The InChIKey is XGNKCIMPWAHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5-9-7(13-10-5)8-4-3-6(11)12-2/h3-4H2,1-2H3,(H,8,9,10).
What are the key properties of methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate?
methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate has a molecular weight of 185.18 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 106659578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).