6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole

C14H10FNO — CID 142050356

IUPAC6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
SMILESCc1cccc(-c2noc3cc(F)ccc23)c1
InChIInChI=1S/C14H10FNO/c1-9-3-2-4-10(7-9)14-12-6-5-11(15)8-13(12)17-16-14/h2-8H,1H3
InChIKeyBNJSAVWXTHLSLN-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.94
Rot. Bonds1

About 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole

6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole (PubChem CID 142050356) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
PubChem CID142050356
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
SMILESCc1cccc(-c2noc3cc(F)ccc23)c1
InChIInChI=1S/C14H10FNO/c1-9-3-2-4-10(7-9)14-12-6-5-11(15)8-13(12)17-16-14/h2-8H,1H3
InChIKeyBNJSAVWXTHLSLN-UHFFFAOYSA-N
XLogP3.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole 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

1-[3-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]butan-2-ol
CID 142050358
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
6-fluoro-3-methyl-2-(3-methylphenyl)quinoline
CID 59288886
5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
CID 18357602
7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
CID 64983694
2-bromo-4-fluoro-1-(3-methylphenyl)benzene
CID 91110930
6-fluoro-3,5-dimethyl-1,2-benzoxazole;6-fluoro-3-methyl-1,2-benzoxazole
CID 158387133
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
ethane;1-fluoro-3-methylbenzene
CID 123790085
3-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]benzoic acid;4-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]benzoic acid;3-[6-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]benzoic acid
CID 160647810

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole (CID 142050356) is 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole is Cc1cccc(-c2noc3cc(F)ccc23)c1.
What is the InChIKey of 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole?
The InChIKey is BNJSAVWXTHLSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-9-3-2-4-10(7-9)14-12-6-5-11(15)8-13(12)17-16-14/h2-8H,1H3.
What are the key properties of 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole?
6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole has a molecular weight of 227.24 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole is sourced from PubChem (CID 142050356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).