methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate

C7H10N2O3 — CID 77230842

IUPACmethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1nc(C)no1
InChIInChI=1S/C7H10N2O3/c1-4(7(10)11-3)6-8-5(2)9-12-6/h4H,1-3H3
InChIKeyLEEHBDRDTUDETE-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.65
Rot. Bonds2

About methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate

methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 77230842) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID77230842
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1nc(C)no1
InChIInChI=1S/C7H10N2O3/c1-4(7(10)11-3)6-8-5(2)9-12-6/h4H,1-3H3
InChIKeyLEEHBDRDTUDETE-UHFFFAOYSA-N
XLogP0.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 131086378
4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346626
methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
CID 75386587
[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate
CID 91297096
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
methyl 2-(1,2-oxazol-5-yl)propanoate
CID 90936290
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 94806001
methyl 2-(2-chlorophenyl)-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetate
CID 55573977
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95306662

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate (CID 77230842) is methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate is COC(=O)C(C)c1nc(C)no1.
What is the InChIKey of methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is LEEHBDRDTUDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(7(10)11-3)6-8-5(2)9-12-6/h4H,1-3H3.
What are the key properties of methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate?
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 170.17 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 77230842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).