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

C20H13F2NO2 — CID 131868108

IUPAC[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc3ccccc3c2)noc1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H13F2NO2/c21-17-8-7-15(10-18(17)22)20-16(11-24)19(23-25-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,24H,11H2
InChIKeyBCKNDUFGXJNOFR-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.93
Rot. Bonds3

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

[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol (PubChem CID 131868108) has the molecular formula C20H13F2NO2 and a molecular weight of 337.33 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
PubChem CID131868108
Molecular FormulaC20H13F2NO2
Molecular Weight337.33 g/mol
Exact Mass337.09
IUPAC Name[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc3ccccc3c2)noc1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H13F2NO2/c21-17-8-7-15(10-18(17)22)20-16(11-24)19(23-25-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,24H,11H2
InChIKeyBCKNDUFGXJNOFR-UHFFFAOYSA-N
XLogP4.93
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867155
[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867826
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol (CID 131868108) is [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccc3ccccc3c2)noc1-c1ccc(F)c(F)c1.
What is the InChIKey of [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol?
The InChIKey is BCKNDUFGXJNOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO2/c21-17-8-7-15(10-18(17)22)20-16(11-24)19(23-25-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,24H,11H2.
What are the key properties of [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol?
[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol has a molecular weight of 337.33 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).