2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol

C12H11F2NO2 — CID 82220028

IUPAC2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(-c2ccc(F)c(F)c2)nc1CCO
InChIInChI=1S/C12H11F2NO2/c1-7-11(4-5-16)15-12(17-7)8-2-3-9(13)10(14)6-8/h2-3,6,16H,4-5H2,1H3
InChIKeyMOKHBTOEGCNQCV-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.46
Rot. Bonds3

About 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol

2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol (PubChem CID 82220028) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
PubChem CID82220028
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
SMILESCc1oc(-c2ccc(F)c(F)c2)nc1CCO
InChIInChI=1S/C12H11F2NO2/c1-7-11(4-5-16)15-12(17-7)8-2-3-9(13)10(14)6-8/h2-3,6,16H,4-5H2,1H3
InChIKeyMOKHBTOEGCNQCV-UHFFFAOYSA-N
XLogP2.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethanol;ethane;ethanol
CID 142910946
2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932
2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 58979003
2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
CID 18376373
3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline
CID 141081062
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
methyl 2-(3,4-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371667
2-(4-bromophenyl)-4-(2-iodoethyl)-5-methyl-1,3-oxazole
CID 58951394
2-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]-1-benzothiophen-5-ol
CID 139663021
2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-4-yl]ethanol
CID 56753323
2-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-(trideuteriomethyl)-1,3-oxazol-4-yl]ethanol
CID 171571769
2-(4-tert-butylphenyl)-5-methyl-4-propyl-1,3-oxazole
CID 59026488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol (CID 82220028) is 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol is Cc1oc(-c2ccc(F)c(F)c2)nc1CCO.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
The InChIKey is MOKHBTOEGCNQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-7-11(4-5-16)15-12(17-7)8-2-3-9(13)10(14)6-8/h2-3,6,16H,4-5H2,1H3.
What are the key properties of 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol?
2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol has a molecular weight of 239.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 82220028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).