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

C12H16FNO2 — CID 23437091

IUPAC[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
SMILESCC1(C)COC(c2ccc(CO)cc2F)N1
InChIInChI=1S/C12H16FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,11,14-15H,6-7H2,1-2H3
InChIKeyJOJAMWCPKRTINR-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.72
Rot. Bonds2

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

[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol (PubChem CID 23437091) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
PubChem CID23437091
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
SMILESCC1(C)COC(c2ccc(CO)cc2F)N1
InChIInChI=1S/C12H16FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,11,14-15H,6-7H2,1-2H3
InChIKeyJOJAMWCPKRTINR-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopropyl-3-fluorophenyl)methanol;ethane
CID 144930453
4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
CID 117228480
(3,4-difluorophenyl)methanol
CID 522833
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
[3-fluoro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 62972334
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine;hydrochloride
CID 117228332
(4-fluoro-3-morpholin-2-ylphenyl)methanol
CID 117301215
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-1,3-oxazolidine
CID 82116569
(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
CID 15720423
[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
CID 107690791
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol (CID 23437091) is [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol is CC1(C)COC(c2ccc(CO)cc2F)N1.
What is the InChIKey of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
The InChIKey is JOJAMWCPKRTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,11,14-15H,6-7H2,1-2H3.
What are the key properties of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 23437091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).