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

C26H23F2N3O2 — CID 42880516

IUPAC2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1C
InChIInChI=1S/C26H23F2N3O2/c1-15-5-8-19(12-16(15)2)29-26(32)31-11-3-4-23(31)25-30-22-14-18(7-10-24(22)33-25)17-6-9-20(27)21(28)13-17/h5-10,12-14,23H,3-4,11H2,1-2H3,(H,29,32)
InChIKeyWQMFGQOXRPMLOJ-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.76
Rot. Bonds3

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

2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 42880516) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID42880516
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1C
InChIInChI=1S/C26H23F2N3O2/c1-15-5-8-19(12-16(15)2)29-26(32)31-11-3-4-23(31)25-30-22-14-18(7-10-24(22)33-25)17-6-9-20(27)21(28)13-17/h5-10,12-14,23H,3-4,11H2,1-2H3,(H,29,32)
InChIKeyWQMFGQOXRPMLOJ-UHFFFAOYSA-N
XLogP6.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)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

(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-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 46107662
N-(3,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880552
N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880513
ethyl 2-[[2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carbonyl]amino]acetate
CID 46107618
(2R)-N-(3-chlorophenyl)-2-[5-(4-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93015871
(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-(4-ethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93015984
1-[(2S)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 93015502
(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 93016083

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (CID 42880516) is 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1C.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WQMFGQOXRPMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-15-5-8-19(12-16(15)2)29-26(32)31-11-3-4-23(31)25-30-22-14-18(7-10-24(22)33-25)17-6-9-20(27)21(28)13-17/h5-10,12-14,23H,3-4,11H2,1-2H3,(H,29,32).
What are the key properties of 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 6.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 42880516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).