(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone

C17H17FN2O3 — CID 129480656

IUPAC(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c18-12-3-1-2-11(6-12)15-7-13(21)9-20(15)17(22)16-8-14(19-23-16)10-4-5-10/h1-3,6,8,10,13,15,21H,4-5,7,9H2/t13-,15-/m1/s1
InChIKeyAZRLJZWNXOMNJO-UKRRQHHQSA-N
MW316.33 g/mol
LogP2.64
Rot. Bonds3

About (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 129480656) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID129480656
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c18-12-3-1-2-11(6-12)15-7-13(21)9-20(15)17(22)16-8-14(19-23-16)10-4-5-10/h1-3,6,8,10,13,15,21H,4-5,7,9H2/t13-,15-/m1/s1
InChIKeyAZRLJZWNXOMNJO-UKRRQHHQSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990135
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129480898
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 129350313
2H-benzotriazol-5-yl-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100720804
(3,5-difluoro-2-pyridinyl)-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481410
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 128972537
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 100719919
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 100652964
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 100652978
(5-chloropyrimidin-4-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129350305
[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 129398688

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 129480656) is (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is AZRLJZWNXOMNJO-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-12-3-1-2-11(6-12)15-7-13(21)9-20(15)17(22)16-8-14(19-23-16)10-4-5-10/h1-3,6,8,10,13,15,21H,4-5,7,9H2/t13-,15-/m1/s1.
What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 316.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 129480656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).