(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

C24H19ClFN3O2 — CID 93015871

IUPAC(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1
InChIInChI=1S/C24H19ClFN3O2/c25-17-3-1-4-19(14-17)27-24(30)29-12-2-5-21(29)23-28-20-13-16(8-11-22(20)31-23)15-6-9-18(26)10-7-15/h1,3-4,6-11,13-14,21H,2,5,12H2,(H,27,30)/t21-/m1/s1
InChIKeyRGVNNHDVFGLVKL-OAQYLSRUSA-N
MW435.89 g/mol
LogP6.66
Rot. Bonds3

About (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 93015871) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID93015871
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1
InChIInChI=1S/C24H19ClFN3O2/c25-17-3-1-4-19(14-17)27-24(30)29-12-2-5-21(29)23-28-20-13-16(8-11-22(20)31-23)15-6-9-18(26)10-7-15/h1,3-4,6-11,13-14,21H,2,5,12H2,(H,27,30)/t21-/m1/s1
InChIKeyRGVNNHDVFGLVKL-OAQYLSRUSA-N
XLogP6.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93016112
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 93016064
(2S)-N-(3,4-difluorophenyl)-2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93016041
(2R)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 93016003
2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 42880516
N-benzyl-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107540
N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880513
N-(3,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880552
2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 46107662
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880505
(3-chlorophenyl)-[2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 42880451
(3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CID 93015261

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 93015871) is (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3)ccc2o1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is RGVNNHDVFGLVKL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c25-17-3-1-4-19(14-17)27-24(30)29-12-2-5-21(29)23-28-20-13-16(8-11-22(20)31-23)15-6-9-18(26)10-7-15/h1,3-4,6-11,13-14,21H,2,5,12H2,(H,27,30)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 93015871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).