(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C10H18N4O — CID 107565624

IUPAC(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC[C@@H](N)c1nc(N2CCCC2)no1
InChIInChI=1S/C10H18N4O/c1-2-5-8(11)9-12-10(13-15-9)14-6-3-4-7-14/h8H,2-7,11H2,1H3/t8-/m1/s1
InChIKeyMZOSABGGQYGUCO-MRVPVSSYSA-N
MW210.28 g/mol
LogP1.47
Rot. Bonds4

About (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 107565624) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID107565624
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC[C@@H](N)c1nc(N2CCCC2)no1
InChIInChI=1S/C10H18N4O/c1-2-5-8(11)9-12-10(13-15-9)14-6-3-4-7-14/h8H,2-7,11H2,1H3/t8-/m1/s1
InChIKeyMZOSABGGQYGUCO-MRVPVSSYSA-N
XLogP1.47
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565626
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
(1S)-3-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904377

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 107565624) is (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC[C@@H](N)c1nc(N2CCCC2)no1.
What is the InChIKey of (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is MZOSABGGQYGUCO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-5-8(11)9-12-10(13-15-9)14-6-3-4-7-14/h8H,2-7,11H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 107565624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).