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

C10H17N3O3 — CID 60721009

IUPACmethyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-7(2)10-11-8(16-12-10)5-13(3)6-9(14)15-4/h7H,5-6H2,1-4H3
InChIKeyFOOQBVDMKVIVGB-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.80
Rot. Bonds5

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

methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate (PubChem CID 60721009) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
PubChem CID60721009
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-7(2)10-11-8(16-12-10)5-13(3)6-9(14)15-4/h7H,5-6H2,1-4H3
InChIKeyFOOQBVDMKVIVGB-UHFFFAOYSA-N
XLogP0.80
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
CID 24648763
N-(2,6-dichlorophenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55525642
5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
CID 107204044
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 91843033
methyl 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetate
CID 60661749
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 124755163
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91828743
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62025875
2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 56812880
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate (CID 60721009) is methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate is COC(=O)CN(C)Cc1nc(C(C)C)no1.
What is the InChIKey of methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate?
The InChIKey is FOOQBVDMKVIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)10-11-8(16-12-10)5-13(3)6-9(14)15-4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate?
methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate has a molecular weight of 227.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate is sourced from PubChem (CID 60721009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).