(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C19H23FN2O5 — CID 71182943

IUPAC(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CC3CC4(CC3C2)OCCO4)c(F)c1
InChIInChI=1S/C19H23FN2O5/c20-16-5-14(22-10-15(11-23)27-18(22)24)1-2-17(16)21-8-12-6-19(7-13(12)9-21)25-3-4-26-19/h1-2,5,12-13,15,23H,3-4,6-11H2/t12?,13?,15-/m1/s1
InChIKeyPQLQMHHEQNNEOV-SSDMNJCBSA-N
MW378.40 g/mol
LogP1.73
Rot. Bonds3

About (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 71182943) has the molecular formula C19H23FN2O5 and a molecular weight of 378.40 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID71182943
Molecular FormulaC19H23FN2O5
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CC3CC4(CC3C2)OCCO4)c(F)c1
InChIInChI=1S/C19H23FN2O5/c20-16-5-14(22-10-15(11-23)27-18(22)24)1-2-17(16)21-8-12-6-19(7-13(12)9-21)25-3-4-26-19/h1-2,5,12-13,15,23H,3-4,6-11H2/t12?,13?,15-/m1/s1
InChIKeyPQLQMHHEQNNEOV-SSDMNJCBSA-N
XLogP1.73
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126496189
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
(5R)-3-[3-fluoro-4-[(1S,5R)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 20788884
(5R)-3-[3-fluoro-4-[4-(1-isocyanoethylidene)piperidin-1-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59754158
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 71182943) is (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(N2CC3CC4(CC3C2)OCCO4)c(F)c1.
What is the InChIKey of (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is PQLQMHHEQNNEOV-SSDMNJCBSA-N. The full InChI is InChI=1S/C19H23FN2O5/c20-16-5-14(22-10-15(11-23)27-18(22)24)1-2-17(16)21-8-12-6-19(7-13(12)9-21)25-3-4-26-19/h1-2,5,12-13,15,23H,3-4,6-11H2/t12?,13?,15-/m1/s1.
What are the key properties of (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 378.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-1,3-dioxolane]-2-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 71182943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).