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

C20H14FNO — CID 171736377

IUPAC2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
SMILESFc1ccc(Cc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H14FNO/c21-17-11-7-15(8-12-17)13-14-5-9-16(10-6-14)20-22-18-3-1-2-4-19(18)23-20/h1-12H,13H2
InChIKeyWAJCVSSAAOFDBG-UHFFFAOYSA-N
MW303.34 g/mol
LogP5.22
Rot. Bonds3

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

2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole (PubChem CID 171736377) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
PubChem CID171736377
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC Name2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
SMILESFc1ccc(Cc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H14FNO/c21-17-11-7-15(8-12-17)13-14-5-9-16(10-6-14)20-22-18-3-1-2-4-19(18)23-20/h1-12H,13H2
InChIKeyWAJCVSSAAOFDBG-UHFFFAOYSA-N
XLogP5.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-1,3-benzoxazole
CID 91680069
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
2-[3-[1,2-bis(4-fluorophenyl)ethoxy]phenyl]-1,3-benzoxazole
CID 173223601
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole (CID 171736377) is 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole is Fc1ccc(Cc2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole?
The InChIKey is WAJCVSSAAOFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO/c21-17-11-7-15(8-12-17)13-14-5-9-16(10-6-14)20-22-18-3-1-2-4-19(18)23-20/h1-12H,13H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole?
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole has a molecular weight of 303.34 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 171736377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).