[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol

C11H14FNO3 — CID 91413630

IUPAC[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
SMILESOCC1(CO)CO[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C11H14FNO3/c12-9-3-1-8(2-4-9)10-13-11(5-14,6-15)7-16-10/h1-4,10,13-15H,5-7H2/t10-/m1/s1
InChIKeyLITBBOMAZBSMJT-SNVBAGLBSA-N
MW227.23 g/mol
LogP0.17
Rot. Bonds3

About [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol

[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol (PubChem CID 91413630) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
PubChem CID91413630
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
SMILESOCC1(CO)CO[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C11H14FNO3/c12-9-3-1-8(2-4-9)10-13-11(5-14,6-15)7-16-10/h1-4,10,13-15H,5-7H2/t10-/m1/s1
InChIKeyLITBBOMAZBSMJT-SNVBAGLBSA-N
XLogP0.17
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol
CID 82111994
[(3S,5S,7aR)-5-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 70902479
[5-(4-fluorophenyl)oxolan-3-yl]methanol
CID 13151493
1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 131128796
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
CID 119084986
2-(4-fluorophenyl)-2,5-dihydrofuran
CID 11126603
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
CID 174108729
CID 174108729
[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
CID 23437091
[2,2-difluoro-3-(4-fluorophenyl)cyclopropyl]methanol
CID 126845026
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol (CID 91413630) is [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol is OCC1(CO)CO[C@H](c2ccc(F)cc2)N1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
The InChIKey is LITBBOMAZBSMJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-9-3-1-8(2-4-9)10-13-11(5-14,6-15)7-16-10/h1-4,10,13-15H,5-7H2/t10-/m1/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol?
[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 91413630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).