5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine

C7H12N4O2 — CID 103542519

IUPAC5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine
SMILESCOC1CCN(c2nnc(N)o2)C1
InChIInChI=1S/C7H12N4O2/c1-12-5-2-3-11(4-5)7-10-9-6(8)13-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyZBEWREZHLCLQJW-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.12
Rot. Bonds2

About 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine

5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 103542519) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine
PubChem CID103542519
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine
SMILESCOC1CCN(c2nnc(N)o2)C1
InChIInChI=1S/C7H12N4O2/c1-12-5-2-3-11(4-5)7-10-9-6(8)13-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyZBEWREZHLCLQJW-UHFFFAOYSA-N
XLogP-0.12
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine (CID 103542519) is 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine is COC1CCN(c2nnc(N)o2)C1.
What is the InChIKey of 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZBEWREZHLCLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-12-5-2-3-11(4-5)7-10-9-6(8)13-7/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine?
5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 184.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidin-1-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 103542519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).