3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid

C15H21N3O5 — CID 18960911

IUPAC3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid
SMILESCN1CCC=C(c2nc(C3CCCC3)no2)C1.O=C(O)C(=O)O
InChIInChI=1S/C13H19N3O.C2H2O4/c1-16-8-4-7-11(9-16)13-14-12(15-17-13)10-5-2-3-6-10;3-1(4)2(5)6/h7,10H,2-6,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyJUJXWTPQJDKQFW-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.60
Rot. Bonds2

About 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid

3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid (PubChem CID 18960911) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid.

Molecular Properties

Compound Name3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid
PubChem CID18960911
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid
SMILESCN1CCC=C(c2nc(C3CCCC3)no2)C1.O=C(O)C(=O)O
InChIInChI=1S/C13H19N3O.C2H2O4/c1-16-8-4-7-11(9-16)13-14-12(15-17-13)10-5-2-3-6-10;3-1(4)2(5)6/h7,10H,2-6,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyJUJXWTPQJDKQFW-UHFFFAOYSA-N
XLogP1.60
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
The IUPAC name of 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid (CID 18960911) is 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid.
What is the SMILES notation for 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
The canonical SMILES for 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid is CN1CCC=C(c2nc(C3CCCC3)no2)C1.O=C(O)C(=O)O.
What is the InChIKey of 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
The InChIKey is JUJXWTPQJDKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C2H2O4/c1-16-8-4-7-11(9-16)13-14-12(15-17-13)10-5-2-3-6-10;3-1(4)2(5)6/h7,10H,2-6,8-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid?
3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid has a molecular weight of 323.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole;oxalic acid is sourced from PubChem (CID 18960911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).