2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole

C16H13F3N6O — CID 51137924

IUPAC2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccnc(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)n1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)12-3-7-21-15(22-12)25-8-4-11(9-25)14-24-23-13(26-14)10-1-5-20-6-2-10/h1-3,5-7,11H,4,8-9H2/t11-/m0/s1
InChIKeyWMXMLHFNWQAAOD-NSHDSACASA-N
MW362.32 g/mol
LogP2.93
Rot. Bonds3

About 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole

2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137924) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137924
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccnc(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)n1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)12-3-7-21-15(22-12)25-8-4-11(9-25)14-24-23-13(26-14)10-1-5-20-6-2-10/h1-3,5-7,11H,4,8-9H2/t11-/m0/s1
InChIKeyWMXMLHFNWQAAOD-NSHDSACASA-N
XLogP2.93
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-amine
CID 162722708
2-(Difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290178
2-(4-methylphenyl)-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137929
N,N-dimethyl-4-[5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 51137937
2-{4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-YL]piperidin-1-YL}-4-methylpyrimidine
CID 72855908
2-(Difluoromethyl)-5-[2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 172465230
2-Methyl-5-[6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-1,3,4-oxadiazole
CID 139220143
2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137923
2-(4-methylphenyl)-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137927
5-Cyclopropyl-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17022441
US12202823, Example 26
CID 155712001
US20260028365, Example 168
CID 175990628

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137924) is 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccnc(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)n1.
What is the InChIKey of 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is WMXMLHFNWQAAOD-NSHDSACASA-N. The full InChI is InChI=1S/C16H13F3N6O/c17-16(18,19)12-3-7-21-15(22-12)25-8-4-11(9-25)14-24-23-13(26-14)10-1-5-20-6-2-10/h1-3,5-7,11H,4,8-9H2/t11-/m0/s1.
What are the key properties of 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 362.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[(3S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).