[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol

C18H18FNO2 — CID 133052536

IUPAC[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol
SMILESCC1(C)COC(c2ccc(F)cc2C(O)c2ccccc2)=N1
InChIInChI=1S/C18H18FNO2/c1-18(2)11-22-17(20-18)14-9-8-13(19)10-15(14)16(21)12-6-4-3-5-7-12/h3-10,16,21H,11H2,1-2H3
InChIKeyDYVUUJWYBBENAM-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.46
Rot. Bonds3

About [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol

[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol (PubChem CID 133052536) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol
PubChem CID133052536
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol
SMILESCC1(C)COC(c2ccc(F)cc2C(O)c2ccccc2)=N1
InChIInChI=1S/C18H18FNO2/c1-18(2)11-22-17(20-18)14-9-8-13(19)10-15(14)16(21)12-6-4-3-5-7-12/h3-10,16,21H,11H2,1-2H3
InChIKeyDYVUUJWYBBENAM-UHFFFAOYSA-N
XLogP3.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol 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

4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
Benzyl alcohol, o-(alpha-(2-(dimethylamino)ethoxy)benzyl)-
CID 33349
((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394838
1-(4-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-2-(hydroxymethyl)phenyl)-4-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol
CID 11189185
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
(1S)-4-(dimethylamino)-1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)butan-1-ol
CID 134990941
5-(Fluoromethyl)-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 178252037
carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
CID 134898910
[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl](2-naphthyl)methanol
CID 362079

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol?
The IUPAC name of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol (CID 133052536) is [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol.
What is the SMILES notation for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol?
The canonical SMILES for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol is CC1(C)COC(c2ccc(F)cc2C(O)c2ccccc2)=N1.
What is the InChIKey of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol?
The InChIKey is DYVUUJWYBBENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-18(2)11-22-17(20-18)14-9-8-13(19)10-15(14)16(21)12-6-4-3-5-7-12/h3-10,16,21H,11H2,1-2H3.
What are the key properties of [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol?
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol has a molecular weight of 299.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-fluorophenyl]-phenylmethanol is sourced from PubChem (CID 133052536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).