2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid

C18H26N4O6 — CID 71783571

IUPAC2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid
SMILESCC1CCN(C(=O)CN2CC(c3nc(C4CC4)no3)C2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N4O2.C2H2O4/c1-11-4-6-20(7-5-11)14(21)10-19-8-13(9-19)16-17-15(18-22-16)12-2-3-12;3-1(4)2(5)6/h11-13H,2-10H2,1H3;(H,3,4)(H,5,6)
InChIKeySXEVZHNACRRYJG-UHFFFAOYSA-N
MW394.43 g/mol
LogP0.76
Rot. Bonds4

About 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid (PubChem CID 71783571) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid.

Molecular Properties

Compound Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid
PubChem CID71783571
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid
SMILESCC1CCN(C(=O)CN2CC(c3nc(C4CC4)no3)C2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N4O2.C2H2O4/c1-11-4-6-20(7-5-11)14(21)10-19-8-13(9-19)16-17-15(18-22-16)12-2-3-12;3-1(4)2(5)6/h11-13H,2-10H2,1H3;(H,3,4)(H,5,6)
InChIKeySXEVZHNACRRYJG-UHFFFAOYSA-N
XLogP0.76
TPSA137.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetic acid
CID 56766304
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 128988663
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 110224458
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 56764466
5-[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole;oxalic acid
CID 71783612
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345383
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid?
The IUPAC name of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid (CID 71783571) is 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid.
What is the SMILES notation for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid?
The canonical SMILES for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid is CC1CCN(C(=O)CN2CC(c3nc(C4CC4)no3)C2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid?
The InChIKey is SXEVZHNACRRYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.C2H2O4/c1-11-4-6-20(7-5-11)14(21)10-19-8-13(9-19)16-17-15(18-22-16)12-2-3-12;3-1(4)2(5)6/h11-13H,2-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid?
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid has a molecular weight of 394.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;oxalic acid is sourced from PubChem (CID 71783571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).