(3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C18H19F3N2O2 — CID 129480241

About (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 129480241) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
• PubChem CID: 129480241
• Molecular Formula: C18H19F3N2O2
• Molecular Weight: 352.36 g/mol
• Exact Mass: 352.14
• IUPAC Name: (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
• SMILES: O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(Cc2ncc(C3CC3)o2)C1
• InChI: InChI=1S/C18H19F3N2O2/c19-18(20,21)14-4-2-1-3-13(14)15-7-12(24)9-23(15)10-17-22-8-16(25-17)11-5-6-11/h1-4,8,11-12,15,24H,5-7,9-10H2/t12-,15+/m1/s1
• InChIKey: XMMKGOUENFPNEJ-DOMZBBRYSA-N
• XLogP: 3.88
• TPSA: 49.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.36
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

The IUPAC name of (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 129480241) is (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

The canonical SMILES for (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(Cc2ncc(C3CC3)o2)C1.

What is the InChIKey of (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

The InChIKey is XMMKGOUENFPNEJ-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)14-4-2-1-3-13(14)15-7-12(24)9-23(15)10-17-22-8-16(25-17)11-5-6-11/h1-4,8,11-12,15,24H,5-7,9-10H2/t12-,15+/m1/s1.

What are the key properties of (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

(3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 352.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 129480241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).