2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole

C16H11F2NO — CID 102005962

IUPAC2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
SMILESFc1ccc(Cc2ncc(-c3ccccc3)o2)cc1F
InChIInChI=1S/C16H11F2NO/c17-13-7-6-11(8-14(13)18)9-16-19-10-15(20-16)12-4-2-1-3-5-12/h1-8,10H,9H2
InChIKeyRUYLLPYQHKPTNA-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.21
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole

2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole (PubChem CID 102005962) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
PubChem CID102005962
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole
SMILESFc1ccc(Cc2ncc(-c3ccccc3)o2)cc1F
InChIInChI=1S/C16H11F2NO/c17-13-7-6-11(8-14(13)18)9-16-19-10-15(20-16)12-4-2-1-3-5-12/h1-8,10H,9H2
InChIKeyRUYLLPYQHKPTNA-UHFFFAOYSA-N
XLogP4.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole (CID 102005962) is 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole is Fc1ccc(Cc2ncc(-c3ccccc3)o2)cc1F.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole?
The InChIKey is RUYLLPYQHKPTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c17-13-7-6-11(8-14(13)18)9-16-19-10-15(20-16)12-4-2-1-3-5-12/h1-8,10H,9H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole?
2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole has a molecular weight of 271.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 102005962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).