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

C14H23N3O4 — CID 78964095

IUPACmethyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
SMILESCCc1nnc(CN(CCC(=O)OC)CC2CCCO2)o1
InChIInChI=1S/C14H23N3O4/c1-3-12-15-16-13(21-12)10-17(7-6-14(18)19-2)9-11-5-4-8-20-11/h11H,3-10H2,1-2H3
InChIKeyDABIJFWJHLQMSL-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.18
Rot. Bonds8

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

methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 78964095) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
PubChem CID78964095
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Namemethyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
SMILESCCc1nnc(CN(CCC(=O)OC)CC2CCCO2)o1
InChIInChI=1S/C14H23N3O4/c1-3-12-15-16-13(21-12)10-17(7-6-14(18)19-2)9-11-5-4-8-20-11/h11H,3-10H2,1-2H3
InChIKeyDABIJFWJHLQMSL-UHFFFAOYSA-N
XLogP1.18
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[1,2,4-oxadiazol-5-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536612
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964261
methyl 3-[(3-methyl-1,2-oxazol-5-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoate
CID 95628109
methyl 3-[1,2-oxazol-4-ylmethyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536624
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953495
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate (CID 78964095) is methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate is CCc1nnc(CN(CCC(=O)OC)CC2CCCO2)o1.
What is the InChIKey of methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is DABIJFWJHLQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-12-15-16-13(21-12)10-17(7-6-14(18)19-2)9-11-5-4-8-20-11/h11H,3-10H2,1-2H3.
What are the key properties of methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 297.35 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 78964095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).