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

C11H19N3O3 — CID 60971190

IUPACmethyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
SMILESCCc1noc(CN(C)CC(C)C(=O)OC)n1
InChIInChI=1S/C11H19N3O3/c1-5-9-12-10(17-13-9)7-14(3)6-8(2)11(15)16-4/h8H,5-7H2,1-4H3
InChIKeyOTYKVKYBMQUQQY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.87
Rot. Bonds6

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

methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate (PubChem CID 60971190) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
PubChem CID60971190
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
SMILESCCc1noc(CN(C)CC(C)C(=O)OC)n1
InChIInChI=1S/C11H19N3O3/c1-5-9-12-10(17-13-9)7-14(3)6-8(2)11(15)16-4/h8H,5-7H2,1-4H3
InChIKeyOTYKVKYBMQUQQY-UHFFFAOYSA-N
XLogP0.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 94178799
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 60969554
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
1-cyclopropyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]ethanol
CID 111858607
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272
N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
CID 86919203
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62025875
methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-methylpropanoate
CID 61235969
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110929749

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate (CID 60971190) is methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate is CCc1noc(CN(C)CC(C)C(=O)OC)n1.
What is the InChIKey of methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is OTYKVKYBMQUQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-9-12-10(17-13-9)7-14(3)6-8(2)11(15)16-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate?
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 241.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60971190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).