[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol

C10H6F3NO2 — CID 79757541

IUPAC[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H6F3NO2/c11-6-2-1-5(8(12)9(6)13)10-7(3-15)14-4-16-10/h1-2,4,15H,3H2
InChIKeySZLLKEIOTNTOQS-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.25
Rot. Bonds2

About [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol

[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 79757541) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol
PubChem CID79757541
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol
SMILESOCc1ncoc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C10H6F3NO2/c11-6-2-1-5(8(12)9(6)13)10-7(3-15)14-4-16-10/h1-2,4,15H,3H2
InChIKeySZLLKEIOTNTOQS-UHFFFAOYSA-N
XLogP2.25
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
CID 79757737
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
[5-(2-bromo-3-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 107984323
[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol
CID 79146085
4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
CID 81479228
4-(bromomethyl)-5-(2-fluorophenyl)-1,3-oxazole
CID 79154261
1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145835
4-(chloromethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818711
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623
[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol
CID 79145795
[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868285

Frequently Asked Questions

What is the IUPAC name of [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol (CID 79757541) is [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol is OCc1ncoc1-c1ccc(F)c(F)c1F.
What is the InChIKey of [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is SZLLKEIOTNTOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-6-2-1-5(8(12)9(6)13)10-7(3-15)14-4-16-10/h1-2,4,15H,3H2.
What are the key properties of [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol?
[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 229.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79757541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).