4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde

C14H8FNO2 — CID 142573895

IUPAC4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2nc3ccc(F)cc3o2)cc1
InChIInChI=1S/C14H8FNO2/c15-11-5-6-12-13(7-11)18-14(16-12)10-3-1-9(8-17)2-4-10/h1-8H
InChIKeyINCDNGSOTQTSQO-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.45
Rot. Bonds2

About 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde

4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde (PubChem CID 142573895) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
PubChem CID142573895
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2nc3ccc(F)cc3o2)cc1
InChIInChI=1S/C14H8FNO2/c15-11-5-6-12-13(7-11)18-14(16-12)10-3-1-9(8-17)2-4-10/h1-8H
InChIKeyINCDNGSOTQTSQO-UHFFFAOYSA-N
XLogP3.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one
CID 58778344
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 63675449
2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carbaldehyde
CID 145125429
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
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
CID 63744297
2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
CID 91675069
2-[3-(chloromethyl)phenyl]-6-fluoro-1,3-benzoxazole
CID 63675997
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
CID 123320554

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde?
The IUPAC name of 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde (CID 142573895) is 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde?
The canonical SMILES for 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde is O=Cc1ccc(-c2nc3ccc(F)cc3o2)cc1.
What is the InChIKey of 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde?
The InChIKey is INCDNGSOTQTSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-11-5-6-12-13(7-11)18-14(16-12)10-3-1-9(8-17)2-4-10/h1-8H.
What are the key properties of 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde?
4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde has a molecular weight of 241.22 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,3-benzoxazol-2-yl)benzaldehyde is sourced from PubChem (CID 142573895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).