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

C24H17F4N3O2 — CID 46107648

IUPACN-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCCC1c1nc2cc(-c3ccc(F)cc3F)ccc2o1
InChIInChI=1S/C24H17F4N3O2/c25-14-4-6-16(17(27)11-14)13-3-8-22-20(10-13)29-23(33-22)21-2-1-9-31(21)24(32)30-19-7-5-15(26)12-18(19)28/h3-8,10-12,21H,1-2,9H2,(H,30,32)
InChIKeyXOBMNTMLXUBTFY-UHFFFAOYSA-N
MW455.41 g/mol
LogP6.42
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 46107648) has the molecular formula C24H17F4N3O2 and a molecular weight of 455.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID46107648
Molecular FormulaC24H17F4N3O2
Molecular Weight455.41 g/mol
Exact Mass455.13
IUPAC NameN-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCCC1c1nc2cc(-c3ccc(F)cc3F)ccc2o1
InChIInChI=1S/C24H17F4N3O2/c25-14-4-6-16(17(27)11-14)13-3-8-22-20(10-13)29-23(33-22)21-2-1-9-31(21)24(32)30-19-7-5-15(26)12-18(19)28/h3-8,10-12,21H,1-2,9H2,(H,30,32)
InChIKeyXOBMNTMLXUBTFY-UHFFFAOYSA-N
XLogP6.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 46107645
N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880513
(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 93016083
N-(2,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107741
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 93016064
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 93016082
(2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93016202
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880505
cyclopropyl-[(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 93015557
2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-ethylpyrrolidine-1-carboxamide
CID 46107637
N-cyclohexyl-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107639
2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 46107662

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 46107648) is N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCCC1c1nc2cc(-c3ccc(F)cc3F)ccc2o1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is XOBMNTMLXUBTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2/c25-14-4-6-16(17(27)11-14)13-3-8-22-20(10-13)29-23(33-22)21-2-1-9-31(21)24(32)30-19-7-5-15(26)12-18(19)28/h3-8,10-12,21H,1-2,9H2,(H,30,32).
What are the key properties of N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?
N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 46107648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).