(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine

C22H25FN4O — CID 45487907

IUPAC(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1c1nnc(-c2ccccc2)o1)Cc1ccccc1F
InChIInChI=1S/C22H25FN4O/c23-19-10-5-4-9-17(19)15-18(24)12-14-27-13-6-11-20(27)22-26-25-21(28-22)16-7-2-1-3-8-16/h1-5,7-10,18,20H,6,11-15,24H2/t18-,20-/m0/s1
InChIKeyXXJSSDKJRNQGMN-ICSRJNTNSA-N
MW380.47 g/mol
LogP3.97
Rot. Bonds7

About (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine

(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine (PubChem CID 45487907) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine
PubChem CID45487907
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1c1nnc(-c2ccccc2)o1)Cc1ccccc1F
InChIInChI=1S/C22H25FN4O/c23-19-10-5-4-9-17(19)15-18(24)12-14-27-13-6-11-20(27)22-26-25-21(28-22)16-7-2-1-3-8-16/h1-5,7-10,18,20H,6,11-15,24H2/t18-,20-/m0/s1
InChIKeyXXJSSDKJRNQGMN-ICSRJNTNSA-N
XLogP3.97
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
The IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine (CID 45487907) is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine is N[C@@H](CCN1CCC[C@H]1c1nnc(-c2ccccc2)o1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
The InChIKey is XXJSSDKJRNQGMN-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-19-10-5-4-9-17(19)15-18(24)12-14-27-13-6-11-20(27)22-26-25-21(28-22)16-7-2-1-3-8-16/h1-5,7-10,18,20H,6,11-15,24H2/t18-,20-/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine has a molecular weight of 380.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 45487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).