2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide

C20H19F2N3O2 — CID 46107637

IUPAC2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1nc2cc(-c3ccc(F)cc3F)ccc2o1
InChIInChI=1S/C20H19F2N3O2/c1-2-23-20(26)25-9-3-4-17(25)19-24-16-10-12(5-8-18(16)27-19)14-7-6-13(21)11-15(14)22/h5-8,10-11,17H,2-4,9H2,1H3,(H,23,26)
InChIKeyNILRRSHRVHXBTH-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.64
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide

2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 46107637) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide
PubChem CID46107637
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCCC1c1nc2cc(-c3ccc(F)cc3F)ccc2o1
InChIInChI=1S/C20H19F2N3O2/c1-2-23-20(26)25-9-3-4-17(25)19-24-16-10-12(5-8-18(16)27-19)14-7-6-13(21)11-15(14)22/h5-8,10-11,17H,2-4,9H2,1H3,(H,23,26)
InChIKeyNILRRSHRVHXBTH-UHFFFAOYSA-N
XLogP4.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107648
cyclopropyl-[(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 93015557
N-cyclohexyl-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107639
1-[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 93015605
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 93016074
2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 46107645
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 93016064
1-[2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 46107362
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 93016102
(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 93016083
2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 46107662
1-[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]heptan-1-one
CID 93015587

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide (CID 46107637) is 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCCC1c1nc2cc(-c3ccc(F)cc3F)ccc2o1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is NILRRSHRVHXBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-2-23-20(26)25-9-3-4-17(25)19-24-16-10-12(5-8-18(16)27-19)14-7-6-13(21)11-15(14)22/h5-8,10-11,17H,2-4,9H2,1H3,(H,23,26).
What are the key properties of 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide?
2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 46107637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).