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

C12H21N3O3 — CID 62012272

IUPACmethyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
SMILESCCCCc1noc(CN(C)CCC(=O)OC)n1
InChIInChI=1S/C12H21N3O3/c1-4-5-6-10-13-11(18-14-10)9-15(2)8-7-12(16)17-3/h4-9H2,1-3H3
InChIKeyUBWLLKNLTYRMDO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.41
Rot. Bonds8

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

methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate (PubChem CID 62012272) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
PubChem CID62012272
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namemethyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
SMILESCCCCc1noc(CN(C)CCC(=O)OC)n1
InChIInChI=1S/C12H21N3O3/c1-4-5-6-10-13-11(18-14-10)9-15(2)8-7-12(16)17-3/h4-9H2,1-3H3
InChIKeyUBWLLKNLTYRMDO-UHFFFAOYSA-N
XLogP1.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490108
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236625
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
methyl 2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548875
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-one
CID 79412961
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate (CID 62012272) is methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate is CCCCc1noc(CN(C)CCC(=O)OC)n1.
What is the InChIKey of methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate?
The InChIKey is UBWLLKNLTYRMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-5-6-10-13-11(18-14-10)9-15(2)8-7-12(16)17-3/h4-9H2,1-3H3.
What are the key properties of methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate?
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate has a molecular weight of 255.32 g/mol, XLogP of 1.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 62012272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).