1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C17H17F4N3O2 — CID 51124968

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H17F4N3O2/c18-12-5-3-11(4-6-12)16-23-13(9-26-16)8-24-7-1-2-14(24)15(25)22-10-17(19,20)21/h3-6,9,14H,1-2,7-8,10H2,(H,22,25)
InChIKeyLPGAGFKBZZNXSV-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.12
Rot. Bonds5

About 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51124968) has the molecular formula C17H17F4N3O2 and a molecular weight of 371.33 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51124968
Molecular FormulaC17H17F4N3O2
Molecular Weight371.33 g/mol
Exact Mass371.13
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H17F4N3O2/c18-12-5-3-11(4-6-12)16-23-13(9-26-16)8-24-7-1-2-14(24)15(25)22-10-17(19,20)21/h3-6,9,14H,1-2,7-8,10H2,(H,22,25)
InChIKeyLPGAGFKBZZNXSV-UHFFFAOYSA-N
XLogP3.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 47027351
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111106797
2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
methyl 1-[[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69171870
2-(4-fluorophenyl)-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94136515
(2R)-1-[[3-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 145482293
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111097117

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51124968) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)C1CCCN1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is LPGAGFKBZZNXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O2/c18-12-5-3-11(4-6-12)16-23-13(9-26-16)8-24-7-1-2-14(24)15(25)22-10-17(19,20)21/h3-6,9,14H,1-2,7-8,10H2,(H,22,25).
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 371.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51124968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).