1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate

C15H13N3O4 — CID 46544316

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)c2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C15H13N3O4/c1-9-5-6-12(20-9)15(19)21-10(2)14-17-13(18-22-14)11-4-3-7-16-8-11/h3-8,10H,1-2H3
InChIKeyWGRYUMJSBSORNG-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate (PubChem CID 46544316) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
PubChem CID46544316
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)c2nc(-c3cccnc3)no2)o1
InChIInChI=1S/C15H13N3O4/c1-9-5-6-12(20-9)15(19)21-10(2)14-17-13(18-22-14)11-4-3-7-16-8-11/h3-8,10H,1-2H3
InChIKeyWGRYUMJSBSORNG-UHFFFAOYSA-N
XLogP2.95
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-bromophenyl)acetate
CID 46548702
[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2-hydroxy-5-methylbenzoate
CID 52562250
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl quinoline-2-carboxylate
CID 46688253
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55528627
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 7-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 55547075
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55530161
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 55546414
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(4-acetylphenoxy)propanoate
CID 46545372
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55939073

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate (CID 46544316) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OC(C)c2nc(-c3cccnc3)no2)o1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate?
The InChIKey is WGRYUMJSBSORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-9-5-6-12(20-9)15(19)21-10(2)14-17-13(18-22-14)11-4-3-7-16-8-11/h3-8,10H,1-2H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-methylfuran-2-carboxylate is sourced from PubChem (CID 46544316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).