2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole

C19H12FNO — CID 171056346

IUPAC2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
SMILESFc1ccc(-c2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C19H12FNO/c20-16-10-8-13(9-11-16)14-4-3-5-15(12-14)19-21-17-6-1-2-7-18(17)22-19/h1-12H
InChIKeyDWJQOLKEBPANHN-UHFFFAOYSA-N
MW289.31 g/mol
LogP5.30
Rot. Bonds2

About 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole

2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole (PubChem CID 171056346) has the molecular formula C19H12FNO and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
PubChem CID171056346
Molecular FormulaC19H12FNO
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC Name2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
SMILESFc1ccc(-c2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C19H12FNO/c20-16-10-8-13(9-11-16)14-4-3-5-15(12-14)19-21-17-6-1-2-7-18(17)22-19/h1-12H
InChIKeyDWJQOLKEBPANHN-UHFFFAOYSA-N
XLogP5.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.31
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-fluorophenyl)phenyl]-1,3-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

2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 171056538
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-[3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 171056439
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
[3-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056269
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
CID 171736377
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
CID 155757362

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole (CID 171056346) is 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole is Fc1ccc(-c2cccc(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole?
The InChIKey is DWJQOLKEBPANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO/c20-16-10-8-13(9-11-16)14-4-3-5-15(12-14)19-21-17-6-1-2-7-18(17)22-19/h1-12H.
What are the key properties of 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole?
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole has a molecular weight of 289.31 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 171056346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).