methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate

C16H20N4O4 — CID 78867875

IUPACmethyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
SMILESCOC(=O)C(NC(=O)CCc1nc(-c2ccccn2)no1)C(C)C
InChIInChI=1S/C16H20N4O4/c1-10(2)14(16(22)23-3)18-12(21)7-8-13-19-15(20-24-13)11-6-4-5-9-17-11/h4-6,9-10,14H,7-8H2,1-3H3,(H,18,21)
InChIKeyZYOZHEHCYSHHQX-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.38
Rot. Bonds7

About methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate

methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate (PubChem CID 78867875) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
PubChem CID78867875
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Namemethyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
SMILESCOC(=O)C(NC(=O)CCc1nc(-c2ccccn2)no1)C(C)C
InChIInChI=1S/C16H20N4O4/c1-10(2)14(16(22)23-3)18-12(21)7-8-13-19-15(20-24-13)11-6-4-5-9-17-11/h4-6,9-10,14H,7-8H2,1-3H3,(H,18,21)
InChIKeyZYOZHEHCYSHHQX-UHFFFAOYSA-N
XLogP1.38
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
N-[1-(2-methoxyphenyl)propyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46432396
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119608011
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46487083
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46431119
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
N-(2-amino-1-cyclohexylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119591258
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate (CID 78867875) is methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate is COC(=O)C(NC(=O)CCc1nc(-c2ccccn2)no1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
The InChIKey is ZYOZHEHCYSHHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(2)14(16(22)23-3)18-12(21)7-8-13-19-15(20-24-13)11-6-4-5-9-17-11/h4-6,9-10,14H,7-8H2,1-3H3,(H,18,21).
What are the key properties of methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate?
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate has a molecular weight of 332.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate is sourced from PubChem (CID 78867875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).