1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H17F3N4O3 — CID 46321739

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(N3CC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3=O)c2)no1
InChIInChI=1S/C21H17F3N4O3/c1-12-25-19(27-31-12)13-3-2-4-17(9-13)28-11-14(10-18(28)29)20(30)26-16-7-5-15(6-8-16)21(22,23)24/h2-9,14H,10-11H2,1H3,(H,26,30)
InChIKeyCOGLDKOIJOVQIO-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.06
Rot. Bonds4

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46321739) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46321739
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(N3CC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3=O)c2)no1
InChIInChI=1S/C21H17F3N4O3/c1-12-25-19(27-31-12)13-3-2-4-17(9-13)28-11-14(10-18(28)29)20(30)26-16-7-5-15(6-8-16)21(22,23)24/h2-9,14H,10-11H2,1H3,(H,26,30)
InChIKeyCOGLDKOIJOVQIO-UHFFFAOYSA-N
XLogP4.06
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
(3S)-5-oxo-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92870351
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
1-(3,5-dimethylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186200
(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723644
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321683

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46321739) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1nc(-c2cccc(N3CC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3=O)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is COGLDKOIJOVQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-12-25-19(27-31-12)13-3-2-4-17(9-13)28-11-14(10-18(28)29)20(30)26-16-7-5-15(6-8-16)21(22,23)24/h2-9,14H,10-11H2,1H3,(H,26,30).
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46321739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).