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

C10H17N3O3 — CID 106397959

IUPACethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)CNCc1noc(C)n1
InChIInChI=1S/C10H17N3O3/c1-4-15-10(14)7(2)5-11-6-9-12-8(3)16-13-9/h7,11H,4-6H2,1-3H3
InChIKeyMBXARQVQCBHIBV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.67
Rot. Bonds6

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

ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate (PubChem CID 106397959) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
PubChem CID106397959
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nameethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)CNCc1noc(C)n1
InChIInChI=1S/C10H17N3O3/c1-4-15-10(14)7(2)5-11-6-9-12-8(3)16-13-9/h7,11H,4-6H2,1-3H3
InChIKeyMBXARQVQCBHIBV-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457636
5-(Azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 79316319
Methyl 3-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoate
CID 71918122
Ethyl 2-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]acetate hydrochloride
CID 145912945
Ethyl 2-[[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetyl]amino]acetate
CID 49745060
N~3~-acetyl-N~1~-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N~1~-methyl-beta-alaninamide
CID 91798338
3-(2-Ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10775505
N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103145971
N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103146058
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 103146247
3,3,3-Trifluoro-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]propanoic acid
CID 106401625
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106417070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate (CID 106397959) is ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate is CCOC(=O)C(C)CNCc1noc(C)n1.
What is the InChIKey of ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate?
The InChIKey is MBXARQVQCBHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-15-10(14)7(2)5-11-6-9-12-8(3)16-13-9/h7,11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate?
ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate has a molecular weight of 227.26 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate is sourced from PubChem (CID 106397959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).