[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol

C13H15FN2O3 — CID 128978147

IUPAC[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2nc3cc(F)ccc3o2)C1
InChIInChI=1S/C13H15FN2O3/c1-18-10-5-9(7-17)16(6-10)13-15-11-4-8(14)2-3-12(11)19-13/h2-4,9-10,17H,5-7H2,1H3/t9-,10+/m0/s1
InChIKeyKHIXDSOBHZMVPM-VHSXEESVSA-N
MW266.27 g/mol
LogP1.55
Rot. Bonds3

About [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 128978147) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID128978147
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2nc3cc(F)ccc3o2)C1
InChIInChI=1S/C13H15FN2O3/c1-18-10-5-9(7-17)16(6-10)13-15-11-4-8(14)2-3-12(11)19-13/h2-4,9-10,17H,5-7H2,1H3/t9-,10+/m0/s1
InChIKeyKHIXDSOBHZMVPM-VHSXEESVSA-N
XLogP1.55
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 128978284
[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978432
[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 167968989
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 128975816
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
CID 133476040
2-(2,4-difluorophenyl)-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]ethanone
CID 128984802
(2-chloro-4-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985191
1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
CID 133497405
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128975814
[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128970907
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
4-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128978115

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol (CID 128978147) is [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(c2nc3cc(F)ccc3o2)C1.
What is the InChIKey of [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is KHIXDSOBHZMVPM-VHSXEESVSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-18-10-5-9(7-17)16(6-10)13-15-11-4-8(14)2-3-12(11)19-13/h2-4,9-10,17H,5-7H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 266.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 128978147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).