3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid

C10H13N3O5 — CID 70362302

IUPAC3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid
SMILESCc1noc(C2=CCCNC2)n1.O=C(O)C(=O)O
InChIInChI=1S/C8H11N3O.C2H2O4/c1-6-10-8(12-11-6)7-3-2-4-9-5-7;3-1(4)2(5)6/h3,9H,2,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKeyORWZFVKDTBKDQI-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.09
Rot. Bonds1

About 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid

3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid (PubChem CID 70362302) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid.

Molecular Properties

Compound Name3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid
PubChem CID70362302
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid
SMILESCc1noc(C2=CCCNC2)n1.O=C(O)C(=O)O
InChIInChI=1S/C8H11N3O.C2H2O4/c1-6-10-8(12-11-6)7-3-2-4-9-5-7;3-1(4)2(5)6/h3,9H,2,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKeyORWZFVKDTBKDQI-UHFFFAOYSA-N
XLogP-0.09
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
The IUPAC name of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid (CID 70362302) is 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid.
What is the SMILES notation for 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
The canonical SMILES for 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid is Cc1noc(C2=CCCNC2)n1.O=C(O)C(=O)O.
What is the InChIKey of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
The InChIKey is ORWZFVKDTBKDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H2O4/c1-6-10-8(12-11-6)7-3-2-4-9-5-7;3-1(4)2(5)6/h3,9H,2,4-5H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid has a molecular weight of 255.23 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole;oxalic acid is sourced from PubChem (CID 70362302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).