2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide

C12H19N5O2 — CID 55030370

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCC1CCN(CC(=O)Nc2nnc(C3CC3)o2)C1
InChIInChI=1S/C12H19N5O2/c13-5-8-3-4-17(6-8)7-10(18)14-12-16-15-11(19-12)9-1-2-9/h8-9H,1-7,13H2,(H,14,16,18)
InChIKeyRNQDTPYZMFOHQG-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.17
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 55030370) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID55030370
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCC1CCN(CC(=O)Nc2nnc(C3CC3)o2)C1
InChIInChI=1S/C12H19N5O2/c13-5-8-3-4-17(6-8)7-10(18)14-12-16-15-11(19-12)9-1-2-9/h8-9H,1-7,13H2,(H,14,16,18)
InChIKeyRNQDTPYZMFOHQG-UHFFFAOYSA-N
XLogP0.17
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (CID 55030370) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is NCC1CCN(CC(=O)Nc2nnc(C3CC3)o2)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is RNQDTPYZMFOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-5-8-3-4-17(6-8)7-10(18)14-12-16-15-11(19-12)9-1-2-9/h8-9H,1-7,13H2,(H,14,16,18).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 265.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 55030370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).