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

C21H18Cl2FN3O2 — CID 47027351

IUPACN-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18Cl2FN3O2/c22-14-5-8-18(17(23)10-14)26-20(28)19-2-1-9-27(19)11-16-12-29-21(25-16)13-3-6-15(24)7-4-13/h3-8,10,12,19H,1-2,9,11H2,(H,26,28)
InChIKeyNGCOCSYECKWQCU-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.39
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 47027351) has the molecular formula C21H18Cl2FN3O2 and a molecular weight of 434.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID47027351
Molecular FormulaC21H18Cl2FN3O2
Molecular Weight434.30 g/mol
Exact Mass433.08
IUPAC NameN-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18Cl2FN3O2/c22-14-5-8-18(17(23)10-14)26-20(28)19-2-1-9-27(19)11-16-12-29-21(25-16)13-3-6-15(24)7-4-13/h3-8,10,12,19H,1-2,9,11H2,(H,26,28)
InChIKeyNGCOCSYECKWQCU-UHFFFAOYSA-N
XLogP5.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51124968
N-(2,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 42957909
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 120902799
N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 42957890
1-N-(2,4-dichlorophenyl)-2-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 4566008
N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43926086
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 111106797
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392
2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 47027351) is N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCN1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NGCOCSYECKWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O2/c22-14-5-8-18(17(23)10-14)26-20(28)19-2-1-9-27(19)11-16-12-29-21(25-16)13-3-6-15(24)7-4-13/h3-8,10,12,19H,1-2,9,11H2,(H,26,28).
What are the key properties of N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47027351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).