(3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol

C19H23FN2O3 — CID 129447297

IUPAC(3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@H]1CCCN1Cc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H23FN2O3/c20-14-4-1-3-13(9-14)18-10-21-19(25-18)11-22-7-2-5-16(22)15-12-24-8-6-17(15)23/h1,3-4,9-10,15-17,23H,2,5-8,11-12H2/t15-,16-,17-/m1/s1
InChIKeyFQPROUPMTKSKQF-BRWVUGGUSA-N
MW346.40 g/mol
LogP2.84
Rot. Bonds4

About (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129447297) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol
PubChem CID129447297
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@H]1CCCN1Cc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C19H23FN2O3/c20-14-4-1-3-13(9-14)18-10-21-19(25-18)11-22-7-2-5-16(22)15-12-24-8-6-17(15)23/h1,3-4,9-10,15-17,23H,2,5-8,11-12H2/t15-,16-,17-/m1/s1
InChIKeyFQPROUPMTKSKQF-BRWVUGGUSA-N
XLogP2.84
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 71864980
4-fluoro-2-[[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128965415
3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 167884918
2-(3-fluorophenoxy)-1-[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346265
(3R,4R)-3-[(2R)-1-[2-(3-ethylphenoxy)ethyl]pyrrolidin-2-yl]oxan-4-ol
CID 129447443
5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 128982322
(3S,4R)-3-[(2S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129350797
4-fluoro-3-[[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 100704961
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467616
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 43013095

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol (CID 129447297) is (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol is O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1Cc1ncc(-c2cccc(F)c2)o1.
What is the InChIKey of (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is FQPROUPMTKSKQF-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-14-4-1-3-13(9-14)18-10-21-19(25-18)11-22-7-2-5-16(22)15-12-24-8-6-17(15)23/h1,3-4,9-10,15-17,23H,2,5-8,11-12H2/t15-,16-,17-/m1/s1.
What are the key properties of (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 346.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2R)-1-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129447297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).