[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

C15H14F2N2O4 — CID 129381211

IUPAC[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)on1
InChIInChI=1S/C15H14F2N2O4/c1-22-14-6-13(23-18-14)15(21)19-7-9(20)5-12(19)10-4-8(16)2-3-11(10)17/h2-4,6,9,12,20H,5,7H2,1H3/t9-,12+/m1/s1
InChIKeyZCBCXSOHZVZZEP-SKDRFNHKSA-N
MW324.28 g/mol
LogP1.91
Rot. Bonds3

About [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone

[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 129381211) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID129381211
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)on1
InChIInChI=1S/C15H14F2N2O4/c1-22-14-6-13(23-18-14)15(21)19-7-9(20)5-12(19)10-4-8(16)2-3-11(10)17/h2-4,6,9,12,20H,5,7H2,1H3/t9-,12+/m1/s1
InChIKeyZCBCXSOHZVZZEP-SKDRFNHKSA-N
XLogP1.91
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129480898
5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 100670288
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 129398688
1-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100652871
[(2R,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129481913
[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129372613
[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 129372606
[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 129372607
[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 128990266
4-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 128963862
1-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 75515083
1-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 97140785

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 129381211) is [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)on1.
What is the InChIKey of [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is ZCBCXSOHZVZZEP-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c1-22-14-6-13(23-18-14)15(21)19-7-9(20)5-12(19)10-4-8(16)2-3-11(10)17/h2-4,6,9,12,20H,5,7H2,1H3/t9-,12+/m1/s1.
What are the key properties of [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone?
[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 324.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 129381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).