[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C13H14N4O4 — CID 46459126

IUPAC[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCNC(=O)COC(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H14N4O4/c1-14-10(18)8-20-12(19)6-5-11-16-13(17-21-11)9-4-2-3-7-15-9/h2-4,7H,5-6,8H2,1H3,(H,14,18)
InChIKeyADXVSDGRSNHOKK-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.35
Rot. Bonds6

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

[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 46459126) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID46459126
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCNC(=O)COC(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H14N4O4/c1-14-10(18)8-20-12(19)6-5-11-16-13(17-21-11)9-4-2-3-7-15-9/h2-4,7H,5-6,8H2,1H3,(H,14,18)
InChIKeyADXVSDGRSNHOKK-UHFFFAOYSA-N
XLogP0.35
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428131
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428179
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459157
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428237
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119608011
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 46459126) is [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is CNC(=O)COC(=O)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is ADXVSDGRSNHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-14-10(18)8-20-12(19)6-5-11-16-13(17-21-11)9-4-2-3-7-15-9/h2-4,7H,5-6,8H2,1H3,(H,14,18).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 290.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 46459126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).