6-(2-fluorophenyl)-1,3-benzoxazole

C13H8FNO — CID 150527958

IUPAC6-(2-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccccc1-c1ccc2ncoc2c1
InChIInChI=1S/C13H8FNO/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h1-8H
InChIKeyIDFOUIIJZOLEBR-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.63
Rot. Bonds1

About 6-(2-fluorophenyl)-1,3-benzoxazole

6-(2-fluorophenyl)-1,3-benzoxazole (PubChem CID 150527958) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1,3-benzoxazole
PubChem CID150527958
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Name6-(2-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccccc1-c1ccc2ncoc2c1
InChIInChI=1S/C13H8FNO/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h1-8H
InChIKeyIDFOUIIJZOLEBR-UHFFFAOYSA-N
XLogP3.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-1,3-benzoxazole
CID 19026755
1,4-bis(2-fluorophenyl)benzene
CID 58121760
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079
CID 70416438
CID 70416438
CID 161250572
CID 161250572
6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-benzoxazole
CID 171099892
N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 110759634
1,3-benzoxazol-6-amine
CID 584120
6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
CID 23026117
6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 23025649
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 6-(2-fluorophenyl)-1,3-benzoxazole (CID 150527958) is 6-(2-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-fluorophenyl)-1,3-benzoxazole is Fc1ccccc1-c1ccc2ncoc2c1.
What is the InChIKey of 6-(2-fluorophenyl)-1,3-benzoxazole?
The InChIKey is IDFOUIIJZOLEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h1-8H.
What are the key properties of 6-(2-fluorophenyl)-1,3-benzoxazole?
6-(2-fluorophenyl)-1,3-benzoxazole has a molecular weight of 213.21 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 150527958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).