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

C12H14FNO2 — CID 20625415

IUPAC[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol
SMILESCC1(C)COC(c2ccc(CO)cc2F)=N1
InChIInChI=1S/C12H14FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,15H,6-7H2,1-2H3
InChIKeyZTWYNNXMHAPPPP-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.87
Rot. Bonds2

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

[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol (PubChem CID 20625415) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol
PubChem CID20625415
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol
SMILESCC1(C)COC(c2ccc(CO)cc2F)=N1
InChIInChI=1S/C12H14FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,15H,6-7H2,1-2H3
InChIKeyZTWYNNXMHAPPPP-UHFFFAOYSA-N
XLogP1.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
2-(4-Ethylphenyl)-4,5-dihydrooxazole
CID 66764190
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
(2-Phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 338264

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol (CID 20625415) is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol is CC1(C)COC(c2ccc(CO)cc2F)=N1.
What is the InChIKey of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol?
The InChIKey is ZTWYNNXMHAPPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,15H,6-7H2,1-2H3.
What are the key properties of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol?
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol has a molecular weight of 223.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 20625415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).