5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

C8H11N3O4 — CID 112631759

IUPAC5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOC1CNC(c2nc(C(=O)O)no2)C1
InChIInChI=1S/C8H11N3O4/c1-14-4-2-5(9-3-4)7-10-6(8(12)13)11-15-7/h4-5,9H,2-3H2,1H3,(H,12,13)
InChIKeyLJFMDOJYQBJXPG-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.18
Rot. Bonds3

About 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631759) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631759
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOC1CNC(c2nc(C(=O)O)no2)C1
InChIInChI=1S/C8H11N3O4/c1-14-4-2-5(9-3-4)7-10-6(8(12)13)11-15-7/h4-5,9H,2-3H2,1H3,(H,12,13)
InChIKeyLJFMDOJYQBJXPG-UHFFFAOYSA-N
XLogP-0.18
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631467
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
5-(4-methoxypyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008218
5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165484650
5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 63080887
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103467010
5-(4-methoxypyrrolidin-2-yl)-3-(3-methylcyclopentyl)-1,2,4-oxadiazole
CID 65401220
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 154735478
4-[[5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43101745
5-(4-methoxypyrrolidin-2-yl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134664
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
5-(4-methoxypyrrolidin-2-yl)-3-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 65142036

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112631759) is 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is COC1CNC(c2nc(C(=O)O)no2)C1.
What is the InChIKey of 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LJFMDOJYQBJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-14-4-2-5(9-3-4)7-10-6(8(12)13)11-15-7/h4-5,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).