4-(4-fluorophenyl)-1,3-benzoxazole

C13H8FNO — CID 67857782

IUPAC4-(4-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2cccc3ocnc23)cc1
InChIInChI=1S/C13H8FNO/c14-10-6-4-9(5-7-10)11-2-1-3-12-13(11)15-8-16-12/h1-8H
InChIKeyQBYYHHOCWUMOLB-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.63
Rot. Bonds1

About 4-(4-fluorophenyl)-1,3-benzoxazole

4-(4-fluorophenyl)-1,3-benzoxazole (PubChem CID 67857782) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3-benzoxazole
PubChem CID67857782
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Name4-(4-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2cccc3ocnc23)cc1
InChIInChI=1S/C13H8FNO/c14-10-6-4-9(5-7-10)11-2-1-3-12-13(11)15-8-16-12/h1-8H
InChIKeyQBYYHHOCWUMOLB-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

Benzoxazole
CID 9228
Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(2'-Methylphenyl)benzoxazole
CID 154899
Naphth[1,2-d]oxazole, 2-methyl-
CID 66555
2-(Methylsulfanyl)naphtho[1,2-d][1,3]oxazole
CID 741615
2-(3,5-Dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-Methyl-6-phenylbenzoxazole
CID 653180
(2-Benzooxazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10641613
N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide
CID 10967169

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 4-(4-fluorophenyl)-1,3-benzoxazole (CID 67857782) is 4-(4-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 4-(4-fluorophenyl)-1,3-benzoxazole is Fc1ccc(-c2cccc3ocnc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,3-benzoxazole?
The InChIKey is QBYYHHOCWUMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-10-6-4-9(5-7-10)11-2-1-3-12-13(11)15-8-16-12/h1-8H.
What are the key properties of 4-(4-fluorophenyl)-1,3-benzoxazole?
4-(4-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 4-(4-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 67857782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).