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

C23H26FN3O — CID 45487910

IUPAC(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1c1nc(-c2ccccc2)co1)Cc1ccccc1F
InChIInChI=1S/C23H26FN3O/c24-20-10-5-4-9-18(20)15-19(25)12-14-27-13-6-11-22(27)23-26-21(16-28-23)17-7-2-1-3-8-17/h1-5,7-10,16,19,22H,6,11-15,25H2/t19-,22-/m0/s1
InChIKeyFMBSIBZLTQGXGT-UGKGYDQZSA-N
MW379.48 g/mol
LogP4.58
Rot. Bonds7

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

(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine (PubChem CID 45487910) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine
PubChem CID45487910
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1c1nc(-c2ccccc2)co1)Cc1ccccc1F
InChIInChI=1S/C23H26FN3O/c24-20-10-5-4-9-18(20)15-19(25)12-14-27-13-6-11-22(27)23-26-21(16-28-23)17-7-2-1-3-8-17/h1-5,7-10,16,19,22H,6,11-15,25H2/t19-,22-/m0/s1
InChIKeyFMBSIBZLTQGXGT-UGKGYDQZSA-N
XLogP4.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
The IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine (CID 45487910) is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine is N[C@@H](CCN1CCC[C@H]1c1nc(-c2ccccc2)co1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
The InChIKey is FMBSIBZLTQGXGT-UGKGYDQZSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-20-10-5-4-9-18(20)15-19(25)12-14-27-13-6-11-22(27)23-26-21(16-28-23)17-7-2-1-3-8-17/h1-5,7-10,16,19,22H,6,11-15,25H2/t19-,22-/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine?
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine has a molecular weight of 379.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 45487910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).