(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol

C16H18F3N3O2 — CID 99848982

IUPAC(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCc1ccccc1-c1nc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)no1
InChIInChI=1S/C16H18F3N3O2/c1-10-5-2-3-6-11(10)15-20-13(21-24-15)9-22-8-4-7-12(22)14(23)16(17,18)19/h2-3,5-6,12,14,23H,4,7-9H2,1H3/t12-,14-/m1/s1
InChIKeySYNHGWURLRTAKH-TZMCWYRMSA-N
MW341.33 g/mol
LogP2.93
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol

(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol (PubChem CID 99848982) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
PubChem CID99848982
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCc1ccccc1-c1nc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)no1
InChIInChI=1S/C16H18F3N3O2/c1-10-5-2-3-6-11(10)15-20-13(21-24-15)9-22-8-4-7-12(22)14(23)16(17,18)19/h2-3,5-6,12,14,23H,4,7-9H2,1H3/t12-,14-/m1/s1
InChIKeySYNHGWURLRTAKH-TZMCWYRMSA-N
XLogP2.93
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol (CID 99848982) is (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol is Cc1ccccc1-c1nc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)no1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is SYNHGWURLRTAKH-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10-5-2-3-6-11(10)15-20-13(21-24-15)9-22-8-4-7-12(22)14(23)16(17,18)19/h2-3,5-6,12,14,23H,4,7-9H2,1H3/t12-,14-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 341.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 99848982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).