[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol

C15H16ClFN2O2 — CID 128986720

IUPAC[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H16ClFN2O2/c16-11-3-1-10(2-4-11)15-6-14(21-18-15)8-19-7-12(17)5-13(19)9-20/h1-4,6,12-13,20H,5,7-9H2/t12-,13-/m0/s1
InChIKeyCTMLVCHBBSOTMV-STQMWFEESA-N
MW310.76 g/mol
LogP2.90
Rot. Bonds4

About [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128986720) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128986720
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H16ClFN2O2/c16-11-3-1-10(2-4-11)15-6-14(21-18-15)8-19-7-12(17)5-13(19)9-20/h1-4,6,12-13,20H,5,7-9H2/t12-,13-/m0/s1
InChIKeyCTMLVCHBBSOTMV-STQMWFEESA-N
XLogP2.90
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol (CID 128986720) is [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is CTMLVCHBBSOTMV-STQMWFEESA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c16-11-3-1-10(2-4-11)15-6-14(21-18-15)8-19-7-12(17)5-13(19)9-20/h1-4,6,12-13,20H,5,7-9H2/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 310.76 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128986720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).