N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C17H19F2N3O2 — CID 95293761

IUPACN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C17H19F2N3O2/c1-10-14(11(2)24-21-10)8-17(23)20-13-5-6-22(9-13)16-4-3-12(18)7-15(16)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyJCRPTACJDNRTKZ-CYBMUJFWSA-N
MW335.35 g/mol
LogP2.51
Rot. Bonds4

About N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 95293761) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID95293761
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C17H19F2N3O2/c1-10-14(11(2)24-21-10)8-17(23)20-13-5-6-22(9-13)16-4-3-12(18)7-15(16)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyJCRPTACJDNRTKZ-CYBMUJFWSA-N
XLogP2.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56782313
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554
5-[[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 124682768
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 86896565
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124985226
N-cyclopropyl-2-[[[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111921054
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337
2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042041
2-chloro-N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042040
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 95293761) is N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1.
What is the InChIKey of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is JCRPTACJDNRTKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10-14(11(2)24-21-10)8-17(23)20-13-5-6-22(9-13)16-4-3-12(18)7-15(16)19/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 335.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 95293761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).