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

C17H20FN3O2 — CID 50945289

IUPAC2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)NCc2ccc(F)cc2)on1
InChIInChI=1S/C17H20FN3O2/c1-2-14-10-16(23-20-14)15-4-3-9-21(15)17(22)19-11-12-5-7-13(18)8-6-12/h5-8,10,15H,2-4,9,11H2,1H3,(H,19,22)
InChIKeyXYQVFBJXYBHFOT-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.42
Rot. Bonds4

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

2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 50945289) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID50945289
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)NCc2ccc(F)cc2)on1
InChIInChI=1S/C17H20FN3O2/c1-2-14-10-16(23-20-14)15-4-3-9-21(15)17(22)19-11-12-5-7-13(18)8-6-12/h5-8,10,15H,2-4,9,11H2,1H3,(H,19,22)
InChIKeyXYQVFBJXYBHFOT-UHFFFAOYSA-N
XLogP3.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
(2S)-N-[(4-fluorophenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056305
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
ethyl 2-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 93070433
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893649
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 91653832
N-cyclohexyl-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001949
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94115894
(2S)-2-(3-ethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95079971
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066
2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809054

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 50945289) is 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)NCc2ccc(F)cc2)on1.
What is the InChIKey of 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XYQVFBJXYBHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-14-10-16(23-20-14)15-4-3-9-21(15)17(22)19-11-12-5-7-13(18)8-6-12/h5-8,10,15H,2-4,9,11H2,1H3,(H,19,22).
What are the key properties of 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 50945289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).