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

C20H12F3NO2 — CID 131868285

IUPAC[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc3ccccc23)noc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C20H12F3NO2/c21-16-9-8-14(17(22)18(16)23)20-15(10-25)19(24-26-20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,25H,10H2
InChIKeyMYFGJCCLYPGRLK-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.07
Rot. Bonds3

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

[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868285) has the molecular formula C20H12F3NO2 and a molecular weight of 355.32 g/mol. Its IUPAC name is [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868285
Molecular FormulaC20H12F3NO2
Molecular Weight355.32 g/mol
Exact Mass355.08
IUPAC Name[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc3ccccc23)noc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C20H12F3NO2/c21-16-9-8-14(17(22)18(16)23)20-15(10-25)19(24-26-20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,25H,10H2
InChIKeyMYFGJCCLYPGRLK-UHFFFAOYSA-N
XLogP5.07
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.07
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

[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
CID 131866931
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[3-(2,3-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867107

Frequently Asked Questions

What is the IUPAC name of [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868285) is [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc3ccccc23)noc1-c1ccc(F)c(F)c1F.
What is the InChIKey of [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is MYFGJCCLYPGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO2/c21-16-9-8-14(17(22)18(16)23)20-15(10-25)19(24-26-20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,25H,10H2.
What are the key properties of [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 355.32 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).