4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol

C19H12FNO2 — CID 155757362

IUPAC4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3nc(-c4cccc(F)c4)oc3c2)cc1
InChIInChI=1S/C19H12FNO2/c20-15-3-1-2-14(10-15)19-21-17-9-6-13(11-18(17)23-19)12-4-7-16(22)8-5-12/h1-11,22H
InChIKeyPOFSWVOMBQPVOZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP5.01
Rot. Bonds2

About 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol

4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol (PubChem CID 155757362) has the molecular formula C19H12FNO2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
PubChem CID155757362
Molecular FormulaC19H12FNO2
Molecular Weight305.31 g/mol
Exact Mass305.09
IUPAC Name4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3nc(-c4cccc(F)c4)oc3c2)cc1
InChIInChI=1S/C19H12FNO2/c20-15-3-1-2-14(10-15)19-21-17-9-6-13(11-18(17)23-19)12-4-7-16(22)8-5-12/h1-11,22H
InChIKeyPOFSWVOMBQPVOZ-UHFFFAOYSA-N
XLogP5.01
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 171056538
2-(3-fluorophenyl)-6-[[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]oxy]-1,3-benzoxazole
CID 141185714
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-(3-fluorophenyl)-6-isocyanato-1,3-benzoxazole
CID 169354530
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-(3-fluorophenyl)-1,3-benzoxazole-5-sulfinic acid
CID 174517894
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-[3-(chloromethyl)phenyl]-6-fluoro-1,3-benzoxazole
CID 63675997
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol?
The IUPAC name of 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol (CID 155757362) is 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol?
The canonical SMILES for 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol is Oc1ccc(-c2ccc3nc(-c4cccc(F)c4)oc3c2)cc1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol?
The InChIKey is POFSWVOMBQPVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2/c20-15-3-1-2-14(10-15)19-21-17-9-6-13(11-18(17)23-19)12-4-7-16(22)8-5-12/h1-11,22H.
What are the key properties of 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol?
4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol has a molecular weight of 305.31 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol is sourced from PubChem (CID 155757362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).