(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C11H17N5O2 — CID 63167078

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESNc1nonc1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H17N5O2/c12-10-9(13-18-14-10)11(17)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2,(H2,12,14)
InChIKeyQSXVRTJOCKHZET-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.04
Rot. Bonds2

About (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63167078) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63167078
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESNc1nonc1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H17N5O2/c12-10-9(13-18-14-10)11(17)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2,(H2,12,14)
InChIKeyQSXVRTJOCKHZET-UHFFFAOYSA-N
XLogP-0.04
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 63167078) is (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is Nc1nonc1C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is QSXVRTJOCKHZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-10-9(13-18-14-10)11(17)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2,(H2,12,14).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63167078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).