1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C9H16N4O — CID 130991357

IUPAC1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C9H16N4O/c1-6(10)5-8-12-9(14-13-8)7-3-2-4-11-7/h6-7,11H,2-5,10H2,1H3/t6?,7-/m0/s1
InChIKeySMVGUHJTXSMFLS-MLWJPKLSSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds3

About 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 130991357) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID130991357
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C9H16N4O/c1-6(10)5-8-12-9(14-13-8)7-3-2-4-11-7/h6-7,11H,2-5,10H2,1H3/t6?,7-/m0/s1
InChIKeySMVGUHJTXSMFLS-MLWJPKLSSA-N
XLogP0.38
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 130964669
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
5-[(2R)-azetidin-2-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131020606
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
5-[(2S)-pyrrolidin-2-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104900718
2-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)acetaldehyde
CID 115077838
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
3-(tert-butylsulfanylmethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900602
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
3-[(3,5-dimethylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 62595921
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 94605740

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 130991357) is 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc([C@@H]2CCCN2)n1.
What is the InChIKey of 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is SMVGUHJTXSMFLS-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(10)5-8-12-9(14-13-8)7-3-2-4-11-7/h6-7,11H,2-5,10H2,1H3/t6?,7-/m0/s1.
What are the key properties of 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 130991357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).