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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Related Compounds

5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
CID 102005963
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18286726
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
2-[3-[2-[(3,4-difluorophenyl)methyl]tetrazol-5-yl]phenyl]-5-phenyl-1,3-oxazole
CID 68978444
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31163413
2-fluoro-4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79130770
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
CID 12639620
2-[(3-fluorophenyl)sulfonylmethyl]-5-phenyl-1,3-oxazole
CID 75512661
1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
2-benzyl-5-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 141083060
4-fluoro-2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79128334

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).