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

C13H17N3O3S — CID 62011302

IUPACmethyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H17N3O3S/c1-9(13(17)18-3)7-16(2)8-11-14-15-12(19-11)10-5-4-6-20-10/h4-6,9H,7-8H2,1-3H3
InChIKeyIEFMVFHANRRWSH-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.04
Rot. Bonds6

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

methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate (PubChem CID 62011302) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
PubChem CID62011302
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Namemethyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H17N3O3S/c1-9(13(17)18-3)7-16(2)8-11-14-15-12(19-11)10-5-4-6-20-10/h4-6,9H,7-8H2,1-3H3
InChIKeyIEFMVFHANRRWSH-UHFFFAOYSA-N
XLogP2.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
CID 60965751
methyl (2R)-2-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoate
CID 96504797
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 9375346
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9375353
(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 9375100
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442
(2R)-N-ethyl-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanamide
CID 8689926
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
1-(4-ethoxyphenyl)-N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 78789886
2-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 64915706
methyl 3-[[2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24566610

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate (CID 62011302) is methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate is COC(=O)C(C)CN(C)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
The InChIKey is IEFMVFHANRRWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(13(17)18-3)7-16(2)8-11-14-15-12(19-11)10-5-4-6-20-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate has a molecular weight of 295.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 62011302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).