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

C11H19N5O2 — CID 106964276

IUPAC2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1nnc(CCN)o1)C(=O)N1CCCC1
InChIInChI=1S/C11H19N5O2/c1-8(10(17)16-6-2-3-7-16)13-11-15-14-9(18-11)4-5-12/h8H,2-7,12H2,1H3,(H,13,15)
InChIKeyGAUWOHQPYARJEC-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.01
Rot. Bonds5

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

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 106964276) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID106964276
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1nnc(CCN)o1)C(=O)N1CCCC1
InChIInChI=1S/C11H19N5O2/c1-8(10(17)16-6-2-3-7-16)13-11-15-14-9(18-11)4-5-12/h8H,2-7,12H2,1H3,(H,13,15)
InChIKeyGAUWOHQPYARJEC-UHFFFAOYSA-N
XLogP-0.01
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106958406
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106964162
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 106964127
N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 83885775
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547985
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121
2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365021
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
CID 106958401
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964115
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 106964276) is 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(Nc1nnc(CCN)o1)C(=O)N1CCCC1.
What is the InChIKey of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GAUWOHQPYARJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(10(17)16-6-2-3-7-16)13-11-15-14-9(18-11)4-5-12/h8H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 253.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 106964276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).