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

C12H17FN2O2 — CID 128986817

IUPAC[(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1ncc(C2CC2)o1
InChIInChI=1S/C12H17FN2O2/c13-9-3-10(7-16)15(5-9)6-12-14-4-11(17-12)8-1-2-8/h4,8-10,16H,1-3,5-7H2/t9-,10-/m0/s1
InChIKeyAZRJVXXFQCJPLX-UWVGGRQHSA-N
MW240.28 g/mol
LogP1.46
Rot. Bonds4

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

[(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128986817) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128986817
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1ncc(C2CC2)o1
InChIInChI=1S/C12H17FN2O2/c13-9-3-10(7-16)15(5-9)6-12-14-4-11(17-12)8-1-2-8/h4,8-10,16H,1-3,5-7H2/t9-,10-/m0/s1
InChIKeyAZRJVXXFQCJPLX-UWVGGRQHSA-N
XLogP1.46
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (CID 128986817) is [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1ncc(C2CC2)o1.
What is the InChIKey of [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is AZRJVXXFQCJPLX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-9-3-10(7-16)15(5-9)6-12-14-4-11(17-12)8-1-2-8/h4,8-10,16H,1-3,5-7H2/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 240.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128986817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).