5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C15H18F3N5O — CID 95780234

IUPAC5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)Cn1ccnc1CN1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)9-23-7-5-19-12(23)8-22-6-1-2-11(22)13-20-14(24-21-13)10-3-4-10/h5,7,10-11H,1-4,6,8-9H2/t11-/m1/s1
InChIKeyCOAMGRLNJXXLFV-LLVKDONJSA-N
MW341.34 g/mol
LogP3.04
Rot. Bonds5

About 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95780234) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID95780234
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)Cn1ccnc1CN1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)9-23-7-5-19-12(23)8-22-6-1-2-11(22)13-20-14(24-21-13)10-3-4-10/h5,7,10-11H,1-4,6,8-9H2/t11-/m1/s1
InChIKeyCOAMGRLNJXXLFV-LLVKDONJSA-N
XLogP3.04
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-Cyclopropyl-3-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566155
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53567324
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872452
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 71878595
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 71878603
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 71928489
5-Cyclopropyl-3-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122809
5-Cyclopropyl-3-[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122863
5-Cyclopropyl-3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122869
5-Propan-2-yl-3-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72146365
5-Ethyl-3-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72146366

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 95780234) is 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is FC(F)(F)Cn1ccnc1CN1CCC[C@@H]1c1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is COAMGRLNJXXLFV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)9-23-7-5-19-12(23)8-22-6-1-2-11(22)13-20-14(24-21-13)10-3-4-10/h5,7,10-11H,1-4,6,8-9H2/t11-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 341.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95780234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).