(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine

C12H14N4O — CID 59028714

IUPAC(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C12H14N4O/c13-10-6-7-16(8-10)12-14-11(17-15-12)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2/t10-/m0/s1
InChIKeyKBYMCPDHDXMVRP-JTQLQIEISA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds2

About (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine

(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine (PubChem CID 59028714) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
PubChem CID59028714
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C12H14N4O/c13-10-6-7-16(8-10)12-14-11(17-15-12)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2/t10-/m0/s1
InChIKeyKBYMCPDHDXMVRP-JTQLQIEISA-N
XLogP1.27
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-methoxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 133121479
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 118788409
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
CID 163309435
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
CID 103204643
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine (CID 59028714) is (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine is N[C@H]1CCN(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
The InChIKey is KBYMCPDHDXMVRP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-6-7-16(8-10)12-14-11(17-15-12)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2/t10-/m0/s1.
What are the key properties of (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine?
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine has a molecular weight of 230.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 59028714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).