N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C20H27FN4O2 — CID 110632719

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nc(CCNC(=O)C2CCCN2Cc2ccccc2F)no1
InChIInChI=1S/C20H27FN4O2/c1-20(2,3)19-23-17(24-27-19)10-11-22-18(26)16-9-6-12-25(16)13-14-7-4-5-8-15(14)21/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,22,26)
InChIKeyXWTOFBJCWJWCJP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110632719) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID110632719
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nc(CCNC(=O)C2CCCN2Cc2ccccc2F)no1
InChIInChI=1S/C20H27FN4O2/c1-20(2,3)19-23-17(24-27-19)10-11-22-18(26)16-9-6-12-25(16)13-14-7-4-5-8-15(14)21/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,22,26)
InChIKeyXWTOFBJCWJWCJP-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 110611908
tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632769
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110620905
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 166293475
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 110632719) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)c1nc(CCNC(=O)C2CCCN2Cc2ccccc2F)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XWTOFBJCWJWCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-20(2,3)19-23-17(24-27-19)10-11-22-18(26)16-9-6-12-25(16)13-14-7-4-5-8-15(14)21/h4-5,7-8,16H,6,9-13H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110632719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).