(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C19H17F2N5O2 — CID 87051969

IUPAC(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H17F2N5O2/c1-11-9-26(19(27)23-15-7-13(20)6-14(21)8-15)10-16(11)18-24-17(25-28-18)12-2-4-22-5-3-12/h2-8,11,16H,9-10H2,1H3,(H,23,27)/t11-,16-/m0/s1
InChIKeyZYUIBNXABVKEPT-ZBEGNZNMSA-N
MW385.37 g/mol
LogP3.68
Rot. Bonds3

About (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 87051969) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID87051969
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H17F2N5O2/c1-11-9-26(19(27)23-15-7-13(20)6-14(21)8-15)10-16(11)18-24-17(25-28-18)12-2-4-22-5-3-12/h2-8,11,16H,9-10H2,1H3,(H,23,27)/t11-,16-/m0/s1
InChIKeyZYUIBNXABVKEPT-ZBEGNZNMSA-N
XLogP3.68
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051960
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 156601928
(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
(2,4-difluorophenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051982
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4258615
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 87051969) is (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1c1nc(-c2ccncc2)no1.
What is the InChIKey of (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZYUIBNXABVKEPT-ZBEGNZNMSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-11-9-26(19(27)23-15-7-13(20)6-14(21)8-15)10-16(11)18-24-17(25-28-18)12-2-4-22-5-3-12/h2-8,11,16H,9-10H2,1H3,(H,23,27)/t11-,16-/m0/s1.
What are the key properties of (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87051969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).