4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

C10H17N5O2 — CID 106199225

IUPAC4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCCCNCc1nnc(NC2CNC(=O)C2)o1
InChIInChI=1S/C10H17N5O2/c1-2-3-11-6-9-14-15-10(17-9)13-7-4-8(16)12-5-7/h7,11H,2-6H2,1H3,(H,12,16)(H,13,15)
InChIKeyPJLRKFMPYHRUDA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.13
Rot. Bonds6

About 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 106199225) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID106199225
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCCCNCc1nnc(NC2CNC(=O)C2)o1
InChIInChI=1S/C10H17N5O2/c1-2-3-11-6-9-14-15-10(17-9)13-7-4-8(16)12-5-7/h7,11H,2-6H2,1H3,(H,12,16)(H,13,15)
InChIKeyPJLRKFMPYHRUDA-UHFFFAOYSA-N
XLogP-0.13
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 106199225) is 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is CCCNCc1nnc(NC2CNC(=O)C2)o1.
What is the InChIKey of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is PJLRKFMPYHRUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-11-6-9-14-15-10(17-9)13-7-4-8(16)12-5-7/h7,11H,2-6H2,1H3,(H,12,16)(H,13,15).
What are the key properties of 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 239.28 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106199225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).