4-fluoro-2-phenyl-1,3-oxazole

C9H6FNO — CID 141447377

IUPAC4-fluoro-2-phenyl-1,3-oxazole
SMILESFc1coc(-c2ccccc2)n1
InChIInChI=1S/C9H6FNO/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyODXOPACECVUQNA-UHFFFAOYSA-N
MW163.15 g/mol
LogP2.48
Rot. Bonds1

About 4-fluoro-2-phenyl-1,3-oxazole

4-fluoro-2-phenyl-1,3-oxazole (PubChem CID 141447377) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 4-fluoro-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-fluoro-2-phenyl-1,3-oxazole
PubChem CID141447377
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name4-fluoro-2-phenyl-1,3-oxazole
SMILESFc1coc(-c2ccccc2)n1
InChIInChI=1S/C9H6FNO/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKeyODXOPACECVUQNA-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(4-fluoro-1,3-oxazol-2-yl)-1,3-oxazole
CID 58555962
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
2-phenyl-4-thiophen-3-yl-1,3-oxazole
CID 119082929
4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
CID 105452809
2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
2-(2-phenyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084305
4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol
CID 115047090

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-phenyl-1,3-oxazole?
The IUPAC name of 4-fluoro-2-phenyl-1,3-oxazole (CID 141447377) is 4-fluoro-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-fluoro-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-fluoro-2-phenyl-1,3-oxazole is Fc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-fluoro-2-phenyl-1,3-oxazole?
The InChIKey is ODXOPACECVUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-8-6-12-9(11-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-fluoro-2-phenyl-1,3-oxazole?
4-fluoro-2-phenyl-1,3-oxazole has a molecular weight of 163.15 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenyl-1,3-oxazole is sourced from PubChem (CID 141447377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).