[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone

C14H13F3N4O2 — CID 129346774

IUPAC[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1noc([C@@H]2CCN(C(=O)c3cccnc3C(F)(F)F)C2)n1
InChIInChI=1S/C14H13F3N4O2/c1-8-19-12(23-20-8)9-4-6-21(7-9)13(22)10-3-2-5-18-11(10)14(15,16)17/h2-3,5,9H,4,6-7H2,1H3/t9-/m1/s1
InChIKeyIFXLNDDMOYWFPC-SECBINFHSA-N
MW326.28 g/mol
LogP2.42
Rot. Bonds2

About [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone

[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 129346774) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID129346774
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1noc([C@@H]2CCN(C(=O)c3cccnc3C(F)(F)F)C2)n1
InChIInChI=1S/C14H13F3N4O2/c1-8-19-12(23-20-8)9-4-6-21(7-9)13(22)10-3-2-5-18-11(10)14(15,16)17/h2-3,5,9H,4,6-7H2,1H3/t9-/m1/s1
InChIKeyIFXLNDDMOYWFPC-SECBINFHSA-N
XLogP2.42
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 128988519
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
[2-(2-methoxyethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129351811
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
(2-fluoro-4-methoxyphenyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346800
[2-(difluoromethoxy)phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51087839
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125172460

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 129346774) is [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is Cc1noc([C@@H]2CCN(C(=O)c3cccnc3C(F)(F)F)C2)n1.
What is the InChIKey of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is IFXLNDDMOYWFPC-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-19-12(23-20-8)9-4-6-21(7-9)13(22)10-3-2-5-18-11(10)14(15,16)17/h2-3,5,9H,4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone?
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 326.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 129346774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).