3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol

C14H10FNO2 — CID 135657543

IUPAC3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(Cc3ccccc3F)noc2c1
InChIInChI=1S/C14H10FNO2/c15-12-4-2-1-3-9(12)7-13-11-6-5-10(17)8-14(11)18-16-13/h1-6,8,17H,7H2
InChIKeyWRKWHBYKNARTHE-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.26
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol

3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol (PubChem CID 135657543) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol
PubChem CID135657543
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol
SMILESOc1ccc2c(Cc3ccccc3F)noc2c1
InChIInChI=1S/C14H10FNO2/c15-12-4-2-1-3-9(12)7-13-11-6-5-10(17)8-14(11)18-16-13/h1-6,8,17H,7H2
InChIKeyWRKWHBYKNARTHE-UHFFFAOYSA-N
XLogP3.26
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol 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

[3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-yl] furan-2-carboxylate
CID 29137223
4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503357
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285
3-(2-bromophenyl)-1,2-benzoxazol-6-ol
CID 136705364
3-(bromomethyl)-1,2-benzoxazol-5-ol
CID 119090322
3-[(4-hydroxyphenyl)methyl]-1,2-benzoxazol-6-ol;6-(oxan-2-yloxy)-3-[[4-(oxan-2-yloxy)phenyl]methyl]-1,2-benzoxazole
CID 158595238
6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
CID 130221894
5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
CID 131430211
(2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 95202272
1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
CID 90624474
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]acetamide
CID 9187304

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol (CID 135657543) is 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol is Oc1ccc2c(Cc3ccccc3F)noc2c1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol?
The InChIKey is WRKWHBYKNARTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-12-4-2-1-3-9(12)7-13-11-6-5-10(17)8-14(11)18-16-13/h1-6,8,17H,7H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol?
3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol has a molecular weight of 243.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-1,2-benzoxazol-6-ol is sourced from PubChem (CID 135657543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).