5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine

C13H24N4O — CID 125444437

IUPAC5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(NC[C@H]2CCN(CCC)C2)no1
InChIInChI=1S/C13H24N4O/c1-3-5-12-15-13(16-18-12)14-9-11-6-8-17(10-11)7-4-2/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyABTMMIFTYVREIB-LLVKDONJSA-N
MW252.36 g/mol
LogP2.17
Rot. Bonds7

About 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine

5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 125444437) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine
PubChem CID125444437
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(NC[C@H]2CCN(CCC)C2)no1
InChIInChI=1S/C13H24N4O/c1-3-5-12-15-13(16-18-12)14-9-11-6-8-17(10-11)7-4-2/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyABTMMIFTYVREIB-LLVKDONJSA-N
XLogP2.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine (CID 125444437) is 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine is CCCc1nc(NC[C@H]2CCN(CCC)C2)no1.
What is the InChIKey of 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is ABTMMIFTYVREIB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-12-15-13(16-18-12)14-9-11-6-8-17(10-11)7-4-2/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine?
5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 252.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 125444437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).